ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C80H123N11O5S4 — CID 157289898

IUPACethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2c(s1)CNCC2.CC(C)c1ccc2ncsc2n1.CC(C)c1ccc2scnc2c1.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C10H11NO2.C10H15NS.C10H11NS.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.7C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;7*1-2/h3-4,6H,5H2,1-2H3;5,7,11H,3-4,6H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;7*1-2H3
InChIKeyBARGBFLYXMBKID-UHFFFAOYSA-N
MW1447.20 g/mol
LogP23.50
Rot. Bonds7

About ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 157289898) has the molecular formula C80H123N11O5S4 and a molecular weight of 1447.20 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID157289898
Molecular FormulaC80H123N11O5S4
Molecular Weight1447.20 g/mol
Exact Mass1445.86
IUPAC Nameethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2c(s1)CNCC2.CC(C)c1ccc2ncsc2n1.CC(C)c1ccc2scnc2c1.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C10H11NO2.C10H15NS.C10H11NS.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.7C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;7*1-2/h3-4,6H,5H2,1-2H3;5,7,11H,3-4,6H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;7*1-2H3
InChIKeyBARGBFLYXMBKID-UHFFFAOYSA-N
XLogP23.50
TPSA212.62 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms100
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001447.20
LogP ≤ 523.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 157289898) is ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2c(s1)CNCC2.CC(C)c1ccc2ncsc2n1.CC(C)c1ccc2scnc2c1.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2.
What is the InChIKey of ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is BARGBFLYXMBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C10H15NS.C10H11NS.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.7C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;7*1-2/h3-4,6H,5H2,1-2H3;5,7,11H,3-4,6H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;7*1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1447.20 g/mol, XLogP of 23.50, 7 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 157289898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).