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

C16H22N4S — CID 53272532

IUPAC4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine
SMILESCc1cccc(-c2cnc(CNN3CCN(C)CC3)s2)c1
InChIInChI=1S/C16H22N4S/c1-13-4-3-5-14(10-13)15-11-17-16(21-15)12-18-20-8-6-19(2)7-9-20/h3-5,10-11,18H,6-9,12H2,1-2H3
InChIKeyDCODBUATIWCYDC-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.37
Rot. Bonds4

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

4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine (PubChem CID 53272532) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine
PubChem CID53272532
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine
SMILESCc1cccc(-c2cnc(CNN3CCN(C)CC3)s2)c1
InChIInChI=1S/C16H22N4S/c1-13-4-3-5-14(10-13)15-11-17-16(21-15)12-18-20-8-6-19(2)7-9-20/h3-5,10-11,18H,6-9,12H2,1-2H3
InChIKeyDCODBUATIWCYDC-UHFFFAOYSA-N
XLogP2.37
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-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 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine (CID 53272532) is 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine is Cc1cccc(-c2cnc(CNN3CCN(C)CC3)s2)c1.
What is the InChIKey of 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine?
The InChIKey is DCODBUATIWCYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-13-4-3-5-14(10-13)15-11-17-16(21-15)12-18-20-8-6-19(2)7-9-20/h3-5,10-11,18H,6-9,12H2,1-2H3.
What are the key properties of 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine?
4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine has a molecular weight of 302.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-amine is sourced from PubChem (CID 53272532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).