5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C135H179N41O2S6 — CID 158842272

IUPAC5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1cc2c([nH]1)CCNC2.c1cc2c(cn1)CCNC2.c1cc2c(cn1)CNCC2.c1cc2c(s1)CCNC2.c1cc2c(s1)CNCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCNC2.c1cn2c(n1)CCNC2.c1cn2c(n1)CNCC2.c1cnc2c(c1)CCNC2.c1cnc2c(c1)CNCC2.c1n[nH]c2c1CNCC2.c1nc2c(o1)CCNC2.c1nc2c(o1)CNCC2.c1nc2c(s1)CCN2.c1nc2c(s1)CCNC2.c1nc2c(s1)CNC2.c1nc2c(s1)CNCC2.c1ncn2c1CCNC2.c1ncn2c1CNCC2
InChIInChI=1S/2C9H11N.4C8H10N2.C7H10N2.2C7H9NS.5C6H9N3.2C6H8N2O.2C6H8N2S.2C5H6N2S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;1-2-7-3-5-4-8-9-6(1)5;1-2-7-5-9-4-3-8-6(1)9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-4-5(2-6-1)8-3-7-4;1-2-6-5-4(1)8-3-7-5/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1,3,6,10H,2,4-5H2;1,3,5,10H,2,4,6H2;2*1-2,4,9H,3,5-6H2;1,4,8-9H,2-3,5H2;2*2,4,8H,1,3,5H2;2,4,7H,1,3,5H2;4-5,7H,1-3H2;3,5,7H,1-2,4H2;4,7H,1-3H2,(H,8,9);3-4,7H,1-2,5H2;4*4,7H,1-3H2;2*3,6H,1-2H2
InChIKeyIYJVGULNDVHUFV-UHFFFAOYSA-N
MW2600.60 g/mol
LogP13.81
Rot. Bonds

About 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine

5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 158842272) has the molecular formula C135H179N41O2S6 and a molecular weight of 2600.60 g/mol. Its IUPAC name is 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID158842272
Molecular FormulaC135H179N41O2S6
Molecular Weight2600.60 g/mol
Exact Mass2598.35
IUPAC Name5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1cc2c([nH]1)CCNC2.c1cc2c(cn1)CCNC2.c1cc2c(cn1)CNCC2.c1cc2c(s1)CCNC2.c1cc2c(s1)CNCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCNC2.c1cn2c(n1)CCNC2.c1cn2c(n1)CNCC2.c1cnc2c(c1)CCNC2.c1cnc2c(c1)CNCC2.c1n[nH]c2c1CNCC2.c1nc2c(o1)CCNC2.c1nc2c(o1)CNCC2.c1nc2c(s1)CCN2.c1nc2c(s1)CCNC2.c1nc2c(s1)CNC2.c1nc2c(s1)CNCC2.c1ncn2c1CCNC2.c1ncn2c1CNCC2
InChIInChI=1S/2C9H11N.4C8H10N2.C7H10N2.2C7H9NS.5C6H9N3.2C6H8N2O.2C6H8N2S.2C5H6N2S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;1-2-7-3-5-4-8-9-6(1)5;1-2-7-5-9-4-3-8-6(1)9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-4-5(2-6-1)8-3-7-4;1-2-6-5-4(1)8-3-7-5/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1,3,6,10H,2,4-5H2;1,3,5,10H,2,4,6H2;2*1-2,4,9H,3,5-6H2;1,4,8-9H,2-3,5H2;2*2,4,8H,1,3,5H2;2,4,7H,1,3,5H2;4-5,7H,1-3H2;3,5,7H,1-2,4H2;4,7H,1-3H2,(H,8,9);3-4,7H,1-2,5H2;4*4,7H,1-3H2;2*3,6H,1-2H2
InChIKeyIYJVGULNDVHUFV-UHFFFAOYSA-N
XLogP13.81
TPSA511.53 Ų
H-Bond Donors22
H-Bond Acceptors47
Rotatable Bonds
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002600.60
LogP ≤ 513.81
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1047

Analyze 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

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Related Compounds

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane
CID 157175764
CID 157287947
CID 157287947
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158104076
2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 158446904
6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);bis(4-propan-2-yl-1,3-oxazole);bis(5-propan-2-yl-1,3-oxazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158500783
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158678530
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 159034300
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 159147809
bis(4,5-dimethyl-1H-imidazole);bis(4,5-dimethyl-1,3-oxazole);tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);bis(4,5-dimethyl-1,3-thiazole)
CID 159230988
tert-butylbenzene;3-tert-butylpyridazine;1-tert-butyl-2H-pyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;3-tert-butyl-1,2,4-triazine;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-pyrazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;bis(3,5-ditert-butyl-1H-1,2,4-triazole);octakis(2,2-dimethylpropane)
CID 159240428
4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1,3-oxazole);tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole
CID 159332239

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 158842272) is 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine is c1cc2c([nH]1)CCNC2.c1cc2c(cn1)CCNC2.c1cc2c(cn1)CNCC2.c1cc2c(s1)CCNC2.c1cc2c(s1)CNCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCNC2.c1cn2c(n1)CCNC2.c1cn2c(n1)CNCC2.c1cnc2c(c1)CCNC2.c1cnc2c(c1)CNCC2.c1n[nH]c2c1CNCC2.c1nc2c(o1)CCNC2.c1nc2c(o1)CNCC2.c1nc2c(s1)CCN2.c1nc2c(s1)CCNC2.c1nc2c(s1)CNC2.c1nc2c(s1)CNCC2.c1ncn2c1CCNC2.c1ncn2c1CNCC2.
What is the InChIKey of 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is IYJVGULNDVHUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.4C8H10N2.C7H10N2.2C7H9NS.5C6H9N3.2C6H8N2O.2C6H8N2S.2C5H6N2S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;1-2-7-3-5-4-8-9-6(1)5;1-2-7-5-9-4-3-8-6(1)9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-4-5(2-6-1)8-3-7-4;1-2-6-5-4(1)8-3-7-5/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1,3,6,10H,2,4-5H2;1,3,5,10H,2,4,6H2;2*1-2,4,9H,3,5-6H2;1,4,8-9H,2-3,5H2;2*2,4,8H,1,3,5H2;2,4,7H,1,3,5H2;4-5,7H,1-3H2;3,5,7H,1-2,4H2;4,7H,1-3H2,(H,8,9);3-4,7H,1-2,5H2;4*4,7H,1-3H2;2*3,6H,1-2H2.
What are the key properties of 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 2600.60 g/mol, XLogP of 13.81, 0 rotatable bonds, 22 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 158842272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).