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

C17H16N2S — CID 64716446

IUPAC[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESCc1cccc(-c2nc(CN)c(-c3ccccc3)s2)c1
InChIInChI=1S/C17H16N2S/c1-12-6-5-9-14(10-12)17-19-15(11-18)16(20-17)13-7-3-2-4-8-13/h2-10H,11,18H2,1H3
InChIKeyMELPGQWCWLFDED-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.24
Rot. Bonds3

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

[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (PubChem CID 64716446) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
PubChem CID64716446
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESCc1cccc(-c2nc(CN)c(-c3ccccc3)s2)c1
InChIInChI=1S/C17H16N2S/c1-12-6-5-9-14(10-12)17-19-15(11-18)16(20-17)13-7-3-2-4-8-13/h2-10H,11,18H2,1H3
InChIKeyMELPGQWCWLFDED-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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (CID 64716446) is [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is Cc1cccc(-c2nc(CN)c(-c3ccccc3)s2)c1.
What is the InChIKey of [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is MELPGQWCWLFDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-6-5-9-14(10-12)17-19-15(11-18)16(20-17)13-7-3-2-4-8-13/h2-10H,11,18H2,1H3.
What are the key properties of [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]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 [2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 64716446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).