5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine

C69H98N14S6 — CID 157313102

IUPAC5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine
SMILESCC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1nccs1.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2ccsc12.CSCc1cncc(C(C)C)n1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)ns1
InChIInChI=1S/C9H11N3.C9H10N2S.C9H14N2S.2C8H11N.2C7H11NS.C6H10N2S.C6H9NS/c1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-7(2)9-5-10-4-8(11-9)6-12-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-7-5(3)9-8-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3;4-5,7H,6H2,1-3H3;2*3-7H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3
InChIKeyBDGOQDFZSQTNEZ-UHFFFAOYSA-N
MW1316.04 g/mol
LogP21.16
Rot. Bonds11

About 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine

5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine (PubChem CID 157313102) has the molecular formula C69H98N14S6 and a molecular weight of 1316.04 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine
PubChem CID157313102
Molecular FormulaC69H98N14S6
Molecular Weight1316.04 g/mol
Exact Mass1314.64
IUPAC Name5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine
SMILESCC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1nccs1.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2ccsc12.CSCc1cncc(C(C)C)n1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)ns1
InChIInChI=1S/C9H11N3.C9H10N2S.C9H14N2S.2C8H11N.2C7H11NS.C6H10N2S.C6H9NS/c1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-7(2)9-5-10-4-8(11-9)6-12-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-7-5(3)9-8-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3;4-5,7H,6H2,1-3H3;2*3-7H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3
InChIKeyBDGOQDFZSQTNEZ-UHFFFAOYSA-N
XLogP21.16
TPSA183.36 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.04
LogP ≤ 521.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R)-pyrrolidin-3-yl]-2-[2-[[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]sulfanyl]-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine
CID 89596569
2-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyridin-4-ium
CID 137077444
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70778773
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 154939360
1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 158857214
bis(2-methyl-4-[5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole);4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;2-[5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)-1,3-thiazole;bis(4-[4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine)
CID 158963062
N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)pyridin-1-ium-3-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-ylpyridin-1-ium-3-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate;dichloride
CID 160269830
1-(4H-imidazol-2-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(1-methylimidazol-2-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(2H-pyrrol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(3H-pyrrol-5-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160336757
ethane;2-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-(1-oxidopyridin-1-ium-2-yl)-3-propan-2-ylimidazo[4,5-b]pyridine;2-(1,1,2,2,2-pentafluoroethyl)-3-propan-2-ylimidazo[4,5-b]pyridine;2-phenyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione;2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazole;3-propan-2-yl-2-pyridin-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 160437943
6-Tert-butyl-3-(4,5-dimethylthiophen-2-yl)-2-propan-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-ethyl-6-methyl-3-thiophen-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-methyl-3-(5-methylthiophen-2-yl)-6-phenylimidazo[4,5-b]pyridine;6-methyl-3-(3-phenylphenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;6-phenyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 161531223
N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)pyridin-1-ium-3-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-ylpyridin-1-ium-3-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate;dichloride
CID 162063138
N-[2-[(1R)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726041

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine (CID 157313102) is 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine is CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1nccs1.CC(C)c1ncnc2[nH]ccc12.CC(C)c1ncnc2ccsc12.CSCc1cncc(C(C)C)n1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)ns1.
What is the InChIKey of 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine?
The InChIKey is BDGOQDFZSQTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C9H10N2S.C9H14N2S.2C8H11N.2C7H11NS.C6H10N2S.C6H9NS/c1-6(2)8-7-3-4-10-9(7)12-5-11-8;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-7(2)9-5-10-4-8(11-9)6-12-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-7-5(3)9-8-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3;4-5,7H,6H2,1-3H3;2*3-7H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3.
What are the key properties of 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine?
5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine has a molecular weight of 1316.04 g/mol, XLogP of 21.16, 11 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(methylsulfanylmethyl)-6-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 157313102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).