4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one

C14H22N2OS — CID 63837179

IUPAC4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1ncsc1CN(C)CC1CC(C)CCC1=O
InChIInChI=1S/C14H22N2OS/c1-10-4-5-13(17)12(6-10)7-16(3)8-14-11(2)15-9-18-14/h9-10,12H,4-8H2,1-3H3
InChIKeyWRVFFIKODFQTRU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.89
Rot. Bonds4

About 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one

4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 63837179) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID63837179
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1ncsc1CN(C)CC1CC(C)CCC1=O
InChIInChI=1S/C14H22N2OS/c1-10-4-5-13(17)12(6-10)7-16(3)8-14-11(2)15-9-18-14/h9-10,12H,4-8H2,1-3H3
InChIKeyWRVFFIKODFQTRU-UHFFFAOYSA-N
XLogP2.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one 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-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one (CID 63837179) is 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one is Cc1ncsc1CN(C)CC1CC(C)CCC1=O.
What is the InChIKey of 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is WRVFFIKODFQTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-4-5-13(17)12(6-10)7-16(3)8-14-11(2)15-9-18-14/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one?
4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 63837179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).