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

C12H9ClN2O2S — CID 14711358

IUPACN-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)c1nc(C=O)cs1
InChIInChI=1S/C12H9ClN2O2S/c1-8(17)15(11-4-2-9(13)3-5-11)12-14-10(6-16)7-18-12/h2-7H,1H3
InChIKeyJGIDYFPIKZAFRZ-UHFFFAOYSA-N
MW280.74 g/mol
LogP3.29
Rot. Bonds3

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

N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide (PubChem CID 14711358) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
PubChem CID14711358
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC NameN-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)c1nc(C=O)cs1
InChIInChI=1S/C12H9ClN2O2S/c1-8(17)15(11-4-2-9(13)3-5-11)12-14-10(6-16)7-18-12/h2-7H,1H3
InChIKeyJGIDYFPIKZAFRZ-UHFFFAOYSA-N
XLogP3.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide (CID 14711358) is N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide is CC(=O)N(c1ccc(Cl)cc1)c1nc(C=O)cs1.
What is the InChIKey of N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JGIDYFPIKZAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c1-8(17)15(11-4-2-9(13)3-5-11)12-14-10(6-16)7-18-12/h2-7H,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 280.74 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 14711358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).