1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine

C10H15BrN2S — CID 66221962

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2ncc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2S/c1-7-2-4-10(12,5-3-7)9-13-6-8(11)14-9/h6-7H,2-5,12H2,1H3
InChIKeyKAKFKAPHAGFTEJ-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.27
Rot. Bonds1

About 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine

1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 66221962) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID66221962
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2ncc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2S/c1-7-2-4-10(12,5-3-7)9-13-6-8(11)14-9/h6-7H,2-5,12H2,1H3
InChIKeyKAKFKAPHAGFTEJ-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-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-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine (CID 66221962) is 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)(c2ncc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is KAKFKAPHAGFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-7-2-4-10(12,5-3-7)9-13-6-8(11)14-9/h6-7H,2-5,12H2,1H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine?
1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 275.21 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 66221962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).