2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid

C10H10N2O3S — CID 80569145

IUPAC2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NCCc2ccco2)n1
InChIInChI=1S/C10H10N2O3S/c13-9(14)8-6-16-10(12-8)11-4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
InChIKeyYZPRPCBNGREPRT-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid

2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80569145) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID80569145
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NCCc2ccco2)n1
InChIInChI=1S/C10H10N2O3S/c13-9(14)8-6-16-10(12-8)11-4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
InChIKeyYZPRPCBNGREPRT-UHFFFAOYSA-N
XLogP2.09
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-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

4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 79400362
5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490683
N-[2-(furan-2-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133382604
2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80568324
3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 54955037
4-[[2-(furan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103242182
2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 28777683
methyl 2-[2-(furan-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306858
3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 18863031
N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767785
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61471529
1-[2-[2-(furan-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103242144

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid (CID 80569145) is 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NCCc2ccco2)n1.
What is the InChIKey of 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YZPRPCBNGREPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-9(14)8-6-16-10(12-8)11-4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid?
2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80569145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).