2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid

C13H13N3O3S — CID 66373956

IUPAC2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESNC(=O)c1ccccc1NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C13H13N3O3S/c14-12(17)8-3-1-2-4-9(8)15-6-5-11-16-10(7-20-11)13(18)19/h1-4,7,15H,5-6H2,(H2,14,17)(H,18,19)
InChIKeyQJWRDPJBSIIZNT-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.59
Rot. Bonds6

About 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66373956) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66373956
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESNC(=O)c1ccccc1NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C13H13N3O3S/c14-12(17)8-3-1-2-4-9(8)15-6-5-11-16-10(7-20-11)13(18)19/h1-4,7,15H,5-6H2,(H2,14,17)(H,18,19)
InChIKeyQJWRDPJBSIIZNT-UHFFFAOYSA-N
XLogP1.59
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-carbamoyl-2-chloroanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375303
2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379723
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
2-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372612
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374025
2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381269
2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66390219
2-[2-(5-chloro-2-cyanoanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374340
2-[2-(2-methyl-5-nitroanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373769
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66373956) is 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid is NC(=O)c1ccccc1NCCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QJWRDPJBSIIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-12(17)8-3-1-2-4-9(8)15-6-5-11-16-10(7-20-11)13(18)19/h1-4,7,15H,5-6H2,(H2,14,17)(H,18,19).
What are the key properties of 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66373956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).