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

C16H14N2OS — CID 3424167

IUPAC5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2OS/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18)
InChIKeyANTGCPUUCSKJPH-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.07
Rot. Bonds3

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

5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 3424167) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID3424167
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2OS/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18)
InChIKeyANTGCPUUCSKJPH-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine (CID 3424167) is 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine is COc1ccc(-c2sc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is ANTGCPUUCSKJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18).
What are the key properties of 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3424167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).