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

C17H16N2S — CID 20983736

IUPAC[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCc1ccc(-c2csc(-c3cccc(CN)c3)n2)cc1
InChIInChI=1S/C17H16N2S/c1-12-5-7-14(8-6-12)16-11-20-17(19-16)15-4-2-3-13(9-15)10-18/h2-9,11H,10,18H2,1H3
InChIKeyHYCKIXPQSOZXQI-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.24
Rot. Bonds3

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

[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 20983736) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID20983736
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCc1ccc(-c2csc(-c3cccc(CN)c3)n2)cc1
InChIInChI=1S/C17H16N2S/c1-12-5-7-14(8-6-12)16-11-20-17(19-16)15-4-2-3-13(9-15)10-18/h2-9,11H,10,18H2,1H3
InChIKeyHYCKIXPQSOZXQI-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]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

[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152579
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 82954381
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 20983736) is [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is Cc1ccc(-c2csc(-c3cccc(CN)c3)n2)cc1.
What is the InChIKey of [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is HYCKIXPQSOZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-5-7-14(8-6-12)16-11-20-17(19-16)15-4-2-3-13(9-15)10-18/h2-9,11H,10,18H2,1H3.
What are the key properties of [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine has a molecular weight of 280.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 20983736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).