6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

C13H13N3O3S — CID 103790264

IUPAC6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1nc(CCNC(=O)c2cccc(C(=O)O)n2)cs1
InChIInChI=1S/C13H13N3O3S/c1-8-15-9(7-20-8)5-6-14-12(17)10-3-2-4-11(16-10)13(18)19/h2-4,7H,5-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyHOPBXHKHMJNTEZ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.52
Rot. Bonds5

About 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 103790264) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID103790264
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1nc(CCNC(=O)c2cccc(C(=O)O)n2)cs1
InChIInChI=1S/C13H13N3O3S/c1-8-15-9(7-20-8)5-6-14-12(17)10-3-2-4-11(16-10)13(18)19/h2-4,7H,5-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyHOPBXHKHMJNTEZ-UHFFFAOYSA-N
XLogP1.52
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184650
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106035352
3-amino-2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106032973
6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642384
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 106032478
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 106041465
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid
CID 114139063
6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106040179
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 106035388

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 103790264) is 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is Cc1nc(CCNC(=O)c2cccc(C(=O)O)n2)cs1.
What is the InChIKey of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is HOPBXHKHMJNTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8-15-9(7-20-8)5-6-14-12(17)10-3-2-4-11(16-10)13(18)19/h2-4,7H,5-6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103790264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).