4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine

C16H14N2S — CID 55034297

IUPAC4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
SMILESCc1cccc(-c2nc(-c3ccccc3)sc2N)c1
InChIInChI=1S/C16H14N2S/c1-11-6-5-9-13(10-11)14-15(17)19-16(18-14)12-7-3-2-4-8-12/h2-10H,17H2,1H3
InChIKeyRNANTKJMFIHMLI-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.37
Rot. Bonds2

About 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine

4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine (PubChem CID 55034297) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
PubChem CID55034297
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
SMILESCc1cccc(-c2nc(-c3ccccc3)sc2N)c1
InChIInChI=1S/C16H14N2S/c1-11-6-5-9-13(10-11)14-15(17)19-16(18-14)12-7-3-2-4-8-12/h2-10H,17H2,1H3
InChIKeyRNANTKJMFIHMLI-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine (CID 55034297) is 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine is Cc1cccc(-c2nc(-c3ccccc3)sc2N)c1.
What is the InChIKey of 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine?
The InChIKey is RNANTKJMFIHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-6-5-9-13(10-11)14-15(17)19-16(18-14)12-7-3-2-4-8-12/h2-10H,17H2,1H3.
What are the key properties of 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine?
4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine has a molecular weight of 266.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 55034297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).