5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C11H10N4O3S — CID 81100476

IUPAC5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)NCc2ccc(C(=O)O)nc2)cs1
InChIInChI=1S/C11H10N4O3S/c12-11-15-8(5-19-11)9(16)14-4-6-1-2-7(10(17)18)13-3-6/h1-3,5H,4H2,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyFTKZOHTURPNOEW-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.75
Rot. Bonds4

About 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81100476) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81100476
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)NCc2ccc(C(=O)O)nc2)cs1
InChIInChI=1S/C11H10N4O3S/c12-11-15-8(5-19-11)9(16)14-4-6-1-2-7(10(17)18)13-3-6/h1-3,5H,4H2,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyFTKZOHTURPNOEW-UHFFFAOYSA-N
XLogP0.75
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-[[(4-amino-3-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81090066
5-[[(5-amino-2-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 115297449
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098591
2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55115826
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 65241812

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81100476) is 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid is Nc1nc(C(=O)NCc2ccc(C(=O)O)nc2)cs1.
What is the InChIKey of 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is FTKZOHTURPNOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c12-11-15-8(5-19-11)9(16)14-4-6-1-2-7(10(17)18)13-3-6/h1-3,5H,4H2,(H2,12,15)(H,14,16)(H,17,18).
What are the key properties of 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81100476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).