1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine

C15H19ClN2S2 — CID 63526086

IUPAC1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(-c3ccc(Cl)s3)cs2)CC1
InChIInChI=1S/C15H19ClN2S2/c1-2-10-5-7-15(17,8-6-10)14-18-11(9-19-14)12-3-4-13(16)20-12/h3-4,9-10H,2,5-8,17H2,1H3
InChIKeyLATDAMCCBYDEOL-UHFFFAOYSA-N
MW326.92 g/mol
LogP5.28
Rot. Bonds3

About 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine

1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine (PubChem CID 63526086) has the molecular formula C15H19ClN2S2 and a molecular weight of 326.92 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
PubChem CID63526086
Molecular FormulaC15H19ClN2S2
Molecular Weight326.92 g/mol
Exact Mass326.07
IUPAC Name1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(-c3ccc(Cl)s3)cs2)CC1
InChIInChI=1S/C15H19ClN2S2/c1-2-10-5-7-15(17,8-6-10)14-18-11(9-19-14)12-3-4-13(16)20-12/h3-4,9-10H,2,5-8,17H2,1H3
InChIKeyLATDAMCCBYDEOL-UHFFFAOYSA-N
XLogP5.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.92
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-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 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine (CID 63526086) is 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2nc(-c3ccc(Cl)s3)cs2)CC1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine?
The InChIKey is LATDAMCCBYDEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S2/c1-2-10-5-7-15(17,8-6-10)14-18-11(9-19-14)12-3-4-13(16)20-12/h3-4,9-10H,2,5-8,17H2,1H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine?
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine has a molecular weight of 326.92 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 63526086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).