5-benzyl-4-phenyl-1,3-thiazol-2-amine

C16H14N2S — CID 57476891

IUPAC5-benzyl-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(Cc2ccccc2)s1
InChIInChI=1S/C16H14N2S/c17-16-18-15(13-9-5-2-6-10-13)14(19-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18)
InChIKeyOJQAMANXTFAFPE-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.98
Rot. Bonds3

About 5-benzyl-4-phenyl-1,3-thiazol-2-amine

5-benzyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 57476891) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-benzyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID57476891
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name5-benzyl-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(Cc2ccccc2)s1
InChIInChI=1S/C16H14N2S/c17-16-18-15(13-9-5-2-6-10-13)14(19-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18)
InChIKeyOJQAMANXTFAFPE-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-phenyl-1,3-thiazol-2-amine (CID 57476891) is 5-benzyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-phenyl-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1.
What is the InChIKey of 5-benzyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is OJQAMANXTFAFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-16-18-15(13-9-5-2-6-10-13)14(19-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18).
What are the key properties of 5-benzyl-4-phenyl-1,3-thiazol-2-amine?
5-benzyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 57476891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).