methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate

C14H10N2O3S2 — CID 106696532

IUPACmethyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cnc3ccsc3c2)sc1C(C)=O
InChIInChI=1S/C14H10N2O3S2/c1-7(17)12-11(14(18)19-2)16-13(21-12)8-5-10-9(15-6-8)3-4-20-10/h3-6H,1-2H3
InChIKeyQNVUWQHEPJAKLQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.41
Rot. Bonds3

About methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate

methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate (PubChem CID 106696532) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate
PubChem CID106696532
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC Namemethyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cnc3ccsc3c2)sc1C(C)=O
InChIInChI=1S/C14H10N2O3S2/c1-7(17)12-11(14(18)19-2)16-13(21-12)8-5-10-9(15-6-8)3-4-20-10/h3-6H,1-2H3
InChIKeyQNVUWQHEPJAKLQ-UHFFFAOYSA-N
XLogP3.41
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone
CID 81143050
methyl 5-acetyl-2-(3,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136889058
methyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 106695962
methyl 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 136690605
2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid
CID 81147844
methyl 5-acetyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxylate
CID 106695998
methyl 5-acetyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylate
CID 106696597
methyl 5-acetyl-2-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 106696460
2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylic acid
CID 81147215
methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate
CID 106696568
methyl 5-acetyl-2-(3-bromo-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 106696565
methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate (CID 106696532) is methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cnc3ccsc3c2)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate?
The InChIKey is QNVUWQHEPJAKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c1-7(17)12-11(14(18)19-2)16-13(21-12)8-5-10-9(15-6-8)3-4-20-10/h3-6H,1-2H3.
What are the key properties of methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106696532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).