N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide

C19H16N2O2S — CID 602192

IUPACN-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\sccn1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N2O2S/c1-14(22)20-19-21(11-12-24-19)13-18(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12H,13H2,1H3/b20-19-
InChIKeyFHGCNRHDIAAZCM-VXPUYCOJSA-N
MW336.42 g/mol
LogP3.55
Rot. Bonds4

About N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide

N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide (PubChem CID 602192) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide
PubChem CID602192
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\sccn1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N2O2S/c1-14(22)20-19-21(11-12-24-19)13-18(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12H,13H2,1H3/b20-19-
InChIKeyFHGCNRHDIAAZCM-VXPUYCOJSA-N
XLogP3.55
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide (CID 602192) is N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide is CC(=O)/N=c1\sccn1CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide?
The InChIKey is FHGCNRHDIAAZCM-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-14(22)20-19-21(11-12-24-19)13-18(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12H,13H2,1H3/b20-19-.
What are the key properties of N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide?
N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 336.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 602192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).