5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine

C16H21N3S — CID 62749892

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(CN(C)c2ncc(CNC3CC3)s2)cc1
InChIInChI=1S/C16H21N3S/c1-12-3-5-13(6-4-12)11-19(2)16-18-10-15(20-16)9-17-14-7-8-14/h3-6,10,14,17H,7-9,11H2,1-2H3
InChIKeyGAWPKAYSWWMJLH-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.34
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62749892) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62749892
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(CN(C)c2ncc(CNC3CC3)s2)cc1
InChIInChI=1S/C16H21N3S/c1-12-3-5-13(6-4-12)11-19(2)16-18-10-15(20-16)9-17-14-7-8-14/h3-6,10,14,17H,7-9,11H2,1-2H3
InChIKeyGAWPKAYSWWMJLH-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-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-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 62749892) is 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1ccc(CN(C)c2ncc(CNC3CC3)s2)cc1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is GAWPKAYSWWMJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-3-5-13(6-4-12)11-19(2)16-18-10-15(20-16)9-17-14-7-8-14/h3-6,10,14,17H,7-9,11H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62749892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).