5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid

C17H13N3O4S — CID 127025199

IUPAC5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nc3)s2)cc1
InChIInChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)11-4-7-13(16(22)23)18-8-11/h2-9H,1H3,(H,22,23)(H,19,20,21)
InChIKeyOVQWMMXRNSKSNL-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.16
Rot. Bonds5

About 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid

5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 127025199) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid
PubChem CID127025199
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nc3)s2)cc1
InChIInChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)11-4-7-13(16(22)23)18-8-11/h2-9H,1H3,(H,22,23)(H,19,20,21)
InChIKeyOVQWMMXRNSKSNL-UHFFFAOYSA-N
XLogP3.16
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid
CID 167976818
4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
CID 87521287
5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
CID 134434727
methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
3-methoxy-N-(5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 167856541
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid (CID 127025199) is 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid is COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nc3)s2)cc1.
What is the InChIKey of 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is OVQWMMXRNSKSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)11-4-7-13(16(22)23)18-8-11/h2-9H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid?
5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 355.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 127025199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).