(2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone

C16H12N2OS — CID 774758

IUPAC(2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
SMILESNc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C16H12N2OS/c17-16-18-13(11-7-3-1-4-8-11)15(20-16)14(19)12-9-5-2-6-10-12/h1-10H,(H2,17,18)
InChIKeyDWJFTFVMQOCWNR-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.62
Rot. Bonds3

About (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone

(2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone (PubChem CID 774758) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
PubChem CID774758
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
SMILESNc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C16H12N2OS/c17-16-18-13(11-7-3-1-4-8-11)15(20-16)14(19)12-9-5-2-6-10-12/h1-10H,(H2,17,18)
InChIKeyDWJFTFVMQOCWNR-UHFFFAOYSA-N
XLogP3.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The IUPAC name of (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone (CID 774758) is (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone is Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The InChIKey is DWJFTFVMQOCWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c17-16-18-13(11-7-3-1-4-8-11)15(20-16)14(19)12-9-5-2-6-10-12/h1-10H,(H2,17,18).
What are the key properties of (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
(2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone has a molecular weight of 280.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 774758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).