3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid

C10H8N4O3S — CID 113447865

IUPAC3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1nccs1)Nc1cccnc1C(=O)O
InChIInChI=1S/C10H8N4O3S/c15-8(16)7-6(2-1-3-11-7)13-9(17)14-10-12-4-5-18-10/h1-5H,(H,15,16)(H2,12,13,14,17)
InChIKeyIDVBDVBXIAQRAI-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.88
Rot. Bonds3

About 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid

3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 113447865) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID113447865
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1nccs1)Nc1cccnc1C(=O)O
InChIInChI=1S/C10H8N4O3S/c15-8(16)7-6(2-1-3-11-7)13-9(17)14-10-12-4-5-18-10/h1-5H,(H,15,16)(H2,12,13,14,17)
InChIKeyIDVBDVBXIAQRAI-UHFFFAOYSA-N
XLogP1.88
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447864
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
CID 61187315
1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732727
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-(3-methylbut-2-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 11781617
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[(4-methylpiperazin-1-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743816

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid (CID 113447865) is 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid is O=C(Nc1nccs1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is IDVBDVBXIAQRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S/c15-8(16)7-6(2-1-3-11-7)13-9(17)14-10-12-4-5-18-10/h1-5H,(H,15,16)(H2,12,13,14,17).
What are the key properties of 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 264.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113447865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).