4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine

C11H12N2S2 — CID 77040121

IUPAC4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(C=Cc2csc(N)n2)s1
InChIInChI=1S/C11H12N2S2/c1-2-9-5-6-10(15-9)4-3-8-7-14-11(12)13-8/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyKESHCKJWSWYJLU-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.52
Rot. Bonds3

About 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine

4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77040121) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77040121
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(C=Cc2csc(N)n2)s1
InChIInChI=1S/C11H12N2S2/c1-2-9-5-6-10(15-9)4-3-8-7-14-11(12)13-8/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyKESHCKJWSWYJLU-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine (CID 77040121) is 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine is CCc1ccc(C=Cc2csc(N)n2)s1.
What is the InChIKey of 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is KESHCKJWSWYJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-2-9-5-6-10(15-9)4-3-8-7-14-11(12)13-8/h3-7H,2H2,1H3,(H2,12,13).
What are the key properties of 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 236.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77040121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).