2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid

C13H13ClN2O3S2 — CID 119205035

IUPAC2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C13H13ClN2O3S2/c1-2-5-16(6-11(17)18)13(19)8-7-20-12(15-8)9-3-4-10(14)21-9/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeySBXMGOGVHUEWOY-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.46
Rot. Bonds6

About 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid

2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid (PubChem CID 119205035) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
PubChem CID119205035
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C13H13ClN2O3S2/c1-2-5-16(6-11(17)18)13(19)8-7-20-12(15-8)9-3-4-10(14)21-9/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeySBXMGOGVHUEWOY-UHFFFAOYSA-N
XLogP3.46
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Chloro-2-thienyl)-4-thiazolecarboxylic acid
CID 43140183
N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 40163347
Pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 24540104
N-(2-ethoxybenzyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 53037019
Azetidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 16385824
(3S)-1-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125132380
2-[[2-(5-Chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 126789597
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 24655719
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 40176261
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 48135289
2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 49072289
2-(5-chlorothiophen-2-yl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
CID 56062862

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid (CID 119205035) is 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The InChIKey is SBXMGOGVHUEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-2-5-16(6-11(17)18)13(19)8-7-20-12(15-8)9-3-4-10(14)21-9/h3-4,7H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid has a molecular weight of 344.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119205035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).