N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C18H16N2OS — CID 1139387

IUPACN-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16N2OS/c1-14(21)20(12-15-8-4-2-5-9-15)18-19-17(13-22-18)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3
InChIKeyBFNYOOCMFPHLMR-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.36
Rot. Bonds4

About N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1139387) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1139387
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16N2OS/c1-14(21)20(12-15-8-4-2-5-9-15)18-19-17(13-22-18)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3
InChIKeyBFNYOOCMFPHLMR-UHFFFAOYSA-N
XLogP4.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1139387) is N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BFNYOOCMFPHLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-14(21)20(12-15-8-4-2-5-9-15)18-19-17(13-22-18)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3.
What are the key properties of N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 308.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1139387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).