1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine

C16H29N3S — CID 43201862

IUPAC1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1nc(C(C)NCC2(N(C)C)CCCCC2)c(C)s1
InChIInChI=1S/C16H29N3S/c1-12(15-13(2)20-14(3)18-15)17-11-16(19(4)5)9-7-6-8-10-16/h12,17H,6-11H2,1-5H3
InChIKeyCLSMMTVICSWCHZ-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.68
Rot. Bonds5

About 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine

1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 43201862) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID43201862
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1nc(C(C)NCC2(N(C)C)CCCCC2)c(C)s1
InChIInChI=1S/C16H29N3S/c1-12(15-13(2)20-14(3)18-15)17-11-16(19(4)5)9-7-6-8-10-16/h12,17H,6-11H2,1-5H3
InChIKeyCLSMMTVICSWCHZ-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-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-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine (CID 43201862) is 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine is Cc1nc(C(C)NCC2(N(C)C)CCCCC2)c(C)s1.
What is the InChIKey of 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is CLSMMTVICSWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-12(15-13(2)20-14(3)18-15)17-11-16(19(4)5)9-7-6-8-10-16/h12,17H,6-11H2,1-5H3.
What are the key properties of 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43201862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).