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

C13H12N2O2S — CID 3447813

IUPACN-(4-phenacyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C13H12N2O2S/c1-9(16)14-13-15-11(8-18-13)7-12(17)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyHGJJQHRXALWIFN-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.53
Rot. Bonds4

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

N-(4-phenacyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3447813) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(4-phenacyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenacyl-1,3-thiazol-2-yl)acetamide
PubChem CID3447813
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-(4-phenacyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C13H12N2O2S/c1-9(16)14-13-15-11(8-18-13)7-12(17)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyHGJJQHRXALWIFN-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenacyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-phenacyl-1,3-thiazol-2-yl)acetamide (CID 3447813) is N-(4-phenacyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-phenacyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-phenacyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(CC(=O)c2ccccc2)cs1.
What is the InChIKey of N-(4-phenacyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HGJJQHRXALWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9(16)14-13-15-11(8-18-13)7-12(17)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,16).
What are the key properties of N-(4-phenacyl-1,3-thiazol-2-yl)acetamide?
N-(4-phenacyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 260.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenacyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3447813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).