4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine

C15H24N2S — CID 116965480

IUPAC4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nc(C3CCCC3)cs2)CC1
InChIInChI=1S/C15H24N2S/c1-16-13-8-6-12(7-9-13)15-17-14(10-18-15)11-4-2-3-5-11/h10-13,16H,2-9H2,1H3
InChIKeyDZARSQBRJVCCDB-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.05
Rot. Bonds3

About 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine

4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine (PubChem CID 116965480) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine
PubChem CID116965480
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nc(C3CCCC3)cs2)CC1
InChIInChI=1S/C15H24N2S/c1-16-13-8-6-12(7-9-13)15-17-14(10-18-15)11-4-2-3-5-11/h10-13,16H,2-9H2,1H3
InChIKeyDZARSQBRJVCCDB-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine (CID 116965480) is 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine is CNC1CCC(c2nc(C3CCCC3)cs2)CC1.
What is the InChIKey of 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine?
The InChIKey is DZARSQBRJVCCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-16-13-8-6-12(7-9-13)15-17-14(10-18-15)11-4-2-3-5-11/h10-13,16H,2-9H2,1H3.
What are the key properties of 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine?
4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116965480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).