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

C12H12N4O3S — CID 66373373

IUPAC2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESNC(=O)c1cc(NCCc2nc(C(=O)O)cs2)ccn1
InChIInChI=1S/C12H12N4O3S/c13-11(17)8-5-7(1-3-15-8)14-4-2-10-16-9(6-20-10)12(18)19/h1,3,5-6H,2,4H2,(H2,13,17)(H,14,15)(H,18,19)
InChIKeyGPFPYVSKTOHIQS-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.99
Rot. Bonds6

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

2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66373373) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66373373
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESNC(=O)c1cc(NCCc2nc(C(=O)O)cs2)ccn1
InChIInChI=1S/C12H12N4O3S/c13-11(17)8-5-7(1-3-15-8)14-4-2-10-16-9(6-20-10)12(18)19/h1,3,5-6H,2,4H2,(H2,13,17)(H,14,15)(H,18,19)
InChIKeyGPFPYVSKTOHIQS-UHFFFAOYSA-N
XLogP0.99
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
CID 54913654
2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373956
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
2-[2-(4-carbamoyl-2-chloroanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375303
2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372427
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372798
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 55219505
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
2-[(4-carbamoyl-3-methylanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 81273300
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66373373) is 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is NC(=O)c1cc(NCCc2nc(C(=O)O)cs2)ccn1.
What is the InChIKey of 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GPFPYVSKTOHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c13-11(17)8-5-7(1-3-15-8)14-4-2-10-16-9(6-20-10)12(18)19/h1,3,5-6H,2,4H2,(H2,13,17)(H,14,15)(H,18,19).
What are the key properties of 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66373373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).