2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C12H7ClN2O2S2 — CID 22250074

IUPAC2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cc3nccc(Cl)c3s2)sc1C(=O)O
InChIInChI=1S/C12H7ClN2O2S2/c1-5-9(12(16)17)19-11(15-5)8-4-7-10(18-8)6(13)2-3-14-7/h2-4H,1H3,(H,16,17)
InChIKeyOCLYKDXYAMQMHD-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.08
Rot. Bonds2

About 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 22250074) has the molecular formula C12H7ClN2O2S2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID22250074
Molecular FormulaC12H7ClN2O2S2
Molecular Weight310.79 g/mol
Exact Mass309.96
IUPAC Name2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cc3nccc(Cl)c3s2)sc1C(=O)O
InChIInChI=1S/C12H7ClN2O2S2/c1-5-9(12(16)17)19-11(15-5)8-4-7-10(18-8)6(13)2-3-14-7/h2-4H,1H3,(H,16,17)
InChIKeyOCLYKDXYAMQMHD-UHFFFAOYSA-N
XLogP4.08
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102842168
2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832
7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine
CID 22143619
2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107124586
7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine
CID 18382752
2-(2-chloro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965126
2-[3-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965127
2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965147
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58974646
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82500263
2-[2-(5-chloro-2-pyridinyl)-6-cyano-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 156772333

Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 22250074) is 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cc3nccc(Cl)c3s2)sc1C(=O)O.
What is the InChIKey of 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OCLYKDXYAMQMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S2/c1-5-9(12(16)17)19-11(15-5)8-4-7-10(18-8)6(13)2-3-14-7/h2-4H,1H3,(H,16,17).
What are the key properties of 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.79 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 22250074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).