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

C16H14N2OS — CID 698943

IUPAC4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2OS/c1-19-14-9-7-12(8-10-14)15-11-20-16(18-15)17-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyAKKBBBALMHJWAE-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.56
Rot. Bonds4

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

4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 698943) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID698943
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2OS/c1-19-14-9-7-12(8-10-14)15-11-20-16(18-15)17-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyAKKBBBALMHJWAE-UHFFFAOYSA-N
XLogP4.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine (CID 698943) is 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is AKKBBBALMHJWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-14-9-7-12(8-10-14)15-11-20-16(18-15)17-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18).
What are the key properties of 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 698943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).