1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

C13H20N2OS — CID 116557313

IUPAC1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)C2CCC(N)CC2)sc1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)7-12(16)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3
InChIKeyQPNMMZFYMIOKMW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116557313) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
PubChem CID116557313
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)C2CCC(N)CC2)sc1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)7-12(16)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3
InChIKeyQPNMMZFYMIOKMW-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone 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-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (CID 116557313) is 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is Cc1nc(CC(=O)C2CCC(N)CC2)sc1C.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is QPNMMZFYMIOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)7-12(16)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3.
What are the key properties of 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116557313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).