5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

C16H29N3S — CID 79861333

IUPAC5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CCCCC2(C)C)s1
InChIInChI=1S/C16H29N3S/c1-5-19(6-2)15-18-12-13(20-15)11-17-14-9-7-8-10-16(14,3)4/h12,14,17H,5-11H2,1-4H3
InChIKeyVHSLFQSDLRLSFP-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.05
Rot. Bonds6

About 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 79861333) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID79861333
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CCCCC2(C)C)s1
InChIInChI=1S/C16H29N3S/c1-5-19(6-2)15-18-12-13(20-15)11-17-14-9-7-8-10-16(14,3)4/h12,14,17H,5-11H2,1-4H3
InChIKeyVHSLFQSDLRLSFP-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-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 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 79861333) is 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNC2CCCCC2(C)C)s1.
What is the InChIKey of 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is VHSLFQSDLRLSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-19(6-2)15-18-12-13(20-15)11-17-14-9-7-8-10-16(14,3)4/h12,14,17H,5-11H2,1-4H3.
What are the key properties of 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79861333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).