2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C12H12N4O3S — CID 66381269

IUPAC2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(C(N)=O)c(NCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C12H12N4O3S/c1-6-2-3-7(10(13)17)11(15-6)14-4-9-16-8(5-20-9)12(18)19/h2-3,5H,4H2,1H3,(H2,13,17)(H,14,15)(H,18,19)
InChIKeyUVXADEHJYZOUIX-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.26
Rot. Bonds5

About 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66381269) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66381269
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(C(N)=O)c(NCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C12H12N4O3S/c1-6-2-3-7(10(13)17)11(15-6)14-4-9-16-8(5-20-9)12(18)19/h2-3,5H,4H2,1H3,(H2,13,17)(H,14,15)(H,18,19)
InChIKeyUVXADEHJYZOUIX-UHFFFAOYSA-N
XLogP1.26
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-carbamoyl-3-methylanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 81273300
2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379723
2-[[(3-methyl-4-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380116
2-[(4-carbamoyl-2-chloroanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380508
2-[[(5-methylpyrimidin-2-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378949
2-[[(3-methoxycarbonyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379533
2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379144
2-[[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379336
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
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-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66381269) is 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is Cc1ccc(C(N)=O)c(NCc2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UVXADEHJYZOUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-6-2-3-7(10(13)17)11(15-6)14-4-9-16-8(5-20-9)12(18)19/h2-3,5H,4H2,1H3,(H2,13,17)(H,14,15)(H,18,19).
What are the key properties of 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66381269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).