3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine

C12H21N3S — CID 64553638

IUPAC3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(N)(CNCc2cscn2)C1
InChIInChI=1S/C12H21N3S/c1-10-3-2-4-12(13,5-10)8-14-6-11-7-16-9-15-11/h7,9-10,14H,2-6,8,13H2,1H3
InChIKeyNRLSWJXPBHPCRT-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.14
Rot. Bonds4

About 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine

3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine (PubChem CID 64553638) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
PubChem CID64553638
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(N)(CNCc2cscn2)C1
InChIInChI=1S/C12H21N3S/c1-10-3-2-4-12(13,5-10)8-14-6-11-7-16-9-15-11/h7,9-10,14H,2-6,8,13H2,1H3
InChIKeyNRLSWJXPBHPCRT-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-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 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine (CID 64553638) is 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine is CC1CCCC(N)(CNCc2cscn2)C1.
What is the InChIKey of 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine?
The InChIKey is NRLSWJXPBHPCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-3-2-4-12(13,5-10)8-14-6-11-7-16-9-15-11/h7,9-10,14H,2-6,8,13H2,1H3.
What are the key properties of 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine?
3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64553638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).