[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine

C18H18N2S — CID 82106460

IUPAC[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1cccc(-c2nc(CN)sc2Cc2ccccc2)c1
InChIInChI=1S/C18H18N2S/c1-13-6-5-9-15(10-13)18-16(21-17(12-19)20-18)11-14-7-3-2-4-8-14/h2-10H,11-12,19H2,1H3
InChIKeyCDYHZXHRZAWADN-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.17
Rot. Bonds4

About [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine

[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 82106460) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID82106460
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1cccc(-c2nc(CN)sc2Cc2ccccc2)c1
InChIInChI=1S/C18H18N2S/c1-13-6-5-9-15(10-13)18-16(21-17(12-19)20-18)11-14-7-3-2-4-8-14/h2-10H,11-12,19H2,1H3
InChIKeyCDYHZXHRZAWADN-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 82106454
[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106451
[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106482
[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 86680598
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
CID 55034297
[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177624
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
[4-(4-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106468
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81178171
[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106424

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine (CID 82106460) is [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine is Cc1cccc(-c2nc(CN)sc2Cc2ccccc2)c1.
What is the InChIKey of [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is CDYHZXHRZAWADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-6-5-9-15(10-13)18-16(21-17(12-19)20-18)11-14-7-3-2-4-8-14/h2-10H,11-12,19H2,1H3.
What are the key properties of [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine?
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82106460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).