5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid

C15H12N2O3S2 — CID 162757130

IUPAC5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid
SMILESCc1nc(CO)sc1-c1cccc(-c2cc(C(=O)O)cs2)n1
InChIInChI=1S/C15H12N2O3S2/c1-8-14(22-13(6-18)16-8)11-4-2-3-10(17-11)12-5-9(7-21-12)15(19)20/h2-5,7,18H,6H2,1H3,(H,19,20)
InChIKeyVLXUPJKTSHYXHJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.43
Rot. Bonds4

About 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid

5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid (PubChem CID 162757130) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid
PubChem CID162757130
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid
SMILESCc1nc(CO)sc1-c1cccc(-c2cc(C(=O)O)cs2)n1
InChIInChI=1S/C15H12N2O3S2/c1-8-14(22-13(6-18)16-8)11-4-2-3-10(17-11)12-5-9(7-21-12)15(19)20/h2-5,7,18H,6H2,1H3,(H,19,20)
InChIKeyVLXUPJKTSHYXHJ-UHFFFAOYSA-N
XLogP3.43
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid with MolForge

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Related Compounds

2-Methyl-6-(thiophen-2-yl)pyridine-3-carboxylic acid
CID 8893255
6-Methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 2795963
3-Methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 3822447
US20230348450, Example 49
CID 169320209
4,6-Dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 4961883
2-Methyl-6-(thiophen-3-yl)pyridine-3-carboxylic acid
CID 47003235
US20230348450, Example 291
CID 63752081
5-(2-Methyl-1,3-thiazol-4-yl)thiophene-3-carboxylic acid
CID 45792023
3-Amino-6-(2-thienyl)thiopheno[2,3-b]pyridine-2-carboxylic acid
CID 5152914
US20230348450, Example 77
CID 162757080
Ethyl 6-methyl-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 2795972
2-Methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 19257220

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid (CID 162757130) is 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid is Cc1nc(CO)sc1-c1cccc(-c2cc(C(=O)O)cs2)n1.
What is the InChIKey of 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid?
The InChIKey is VLXUPJKTSHYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-8-14(22-13(6-18)16-8)11-4-2-3-10(17-11)12-5-9(7-21-12)15(19)20/h2-5,7,18H,6H2,1H3,(H,19,20).
What are the key properties of 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid?
5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid has a molecular weight of 332.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 162757130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).