2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C11H10N4O3S — CID 66379723

IUPAC2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESNC(=O)c1cccnc1NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H10N4O3S/c12-9(16)6-2-1-3-13-10(6)14-4-8-15-7(5-19-8)11(17)18/h1-3,5H,4H2,(H2,12,16)(H,13,14)(H,17,18)
InChIKeyIZDPIVZAMMSJBE-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.95
Rot. Bonds5

About 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66379723) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66379723
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESNC(=O)c1cccnc1NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H10N4O3S/c12-9(16)6-2-1-3-13-10(6)14-4-8-15-7(5-19-8)11(17)18/h1-3,5H,4H2,(H2,12,16)(H,13,14)(H,17,18)
InChIKeyIZDPIVZAMMSJBE-UHFFFAOYSA-N
XLogP0.95
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3-methoxycarbonyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379533
2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381269
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 113446158
2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373956
2-[[(4-cyanopyridazin-3-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 80508268
2-[(4-carbamoyl-3-methylanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 81273300
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372798
2-[(4-carbamoyl-2-chloroanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380508
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379682
2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379144
2-[[(3-methyl-4-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380116

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66379723) is 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is NC(=O)c1cccnc1NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IZDPIVZAMMSJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c12-9(16)6-2-1-3-13-10(6)14-4-8-15-7(5-19-8)11(17)18/h1-3,5H,4H2,(H2,12,16)(H,13,14)(H,17,18).
What are the key properties of 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66379723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).