[5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine

C16H14N2S — CID 155557978

IUPAC[5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(-c2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C16H14N2S/c17-10-16-18-11-15(19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10,17H2
InChIKeyUCQLTKKWWGIRBZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.94
Rot. Bonds3

About [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine

[5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 155557978) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID155557978
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name[5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(-c2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C16H14N2S/c17-10-16-18-11-15(19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10,17H2
InChIKeyUCQLTKKWWGIRBZ-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine (CID 155557978) is [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine is NCc1ncc(-c2cccc(-c3ccccc3)c2)s1.
What is the InChIKey of [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is UCQLTKKWWGIRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-10-16-18-11-15(19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10,17H2.
What are the key properties of [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine?
[5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 266.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-phenylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 155557978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).