4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine

C12H19ClN2S — CID 83151827

IUPAC4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(Cl)cs1)C1CCCCC1
InChIInChI=1S/C12H19ClN2S/c1-2-10(9-6-4-3-5-7-9)14-12-15-11(13)8-16-12/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyGEUBZQRFKXPVNR-UHFFFAOYSA-N
MW258.82 g/mol
LogP4.57
Rot. Bonds4

About 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine

4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine (PubChem CID 83151827) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine
PubChem CID83151827
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(Cl)cs1)C1CCCCC1
InChIInChI=1S/C12H19ClN2S/c1-2-10(9-6-4-3-5-7-9)14-12-15-11(13)8-16-12/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyGEUBZQRFKXPVNR-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(1-cyclohexylpropyl)-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-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine (CID 83151827) is 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine is CCC(Nc1nc(Cl)cs1)C1CCCCC1.
What is the InChIKey of 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine?
The InChIKey is GEUBZQRFKXPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-2-10(9-6-4-3-5-7-9)14-12-15-11(13)8-16-12/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine?
4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine has a molecular weight of 258.82 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclohexylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83151827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).