2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid

C10H11N3O2S2 — CID 80572399

IUPAC2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
SMILESCCC(Nc1ncc(C(=O)O)s1)c1nccs1
InChIInChI=1S/C10H11N3O2S2/c1-2-6(8-11-3-4-16-8)13-10-12-5-7(17-10)9(14)15/h3-6H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyPWCGRXISTHDXMP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.86
Rot. Bonds5

About 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid

2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80572399) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID80572399
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
SMILESCCC(Nc1ncc(C(=O)O)s1)c1nccs1
InChIInChI=1S/C10H11N3O2S2/c1-2-6(8-11-3-4-16-8)13-10-12-5-7(17-10)9(14)15/h3-6H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyPWCGRXISTHDXMP-UHFFFAOYSA-N
XLogP2.86
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic 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-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571095
6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81244022
2-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 81282204
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783
2-fluoro-6-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 79511867
4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 83153505
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
2-amino-3-fluoro-6-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 83207195
2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 83041635
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616520

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid (CID 80572399) is 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid is CCC(Nc1ncc(C(=O)O)s1)c1nccs1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is PWCGRXISTHDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-2-6(8-11-3-4-16-8)13-10-12-5-7(17-10)9(14)15/h3-6H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid?
2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 269.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80572399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).