N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide

C12H11ClN2OS — CID 56972542

IUPACN-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\scc(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c1-8-7-17-12(14-9(2)16)15(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3/b14-12-
InChIKeyVPNZNDZKPSHHBG-OWBHPGMISA-N
MW266.75 g/mol
LogP2.95
Rot. Bonds1

About N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide

N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide (PubChem CID 56972542) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide
PubChem CID56972542
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\scc(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c1-8-7-17-12(14-9(2)16)15(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3/b14-12-
InChIKeyVPNZNDZKPSHHBG-OWBHPGMISA-N
XLogP2.95
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide (CID 56972542) is N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide is CC(=O)/N=c1\scc(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide?
The InChIKey is VPNZNDZKPSHHBG-OWBHPGMISA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-7-17-12(14-9(2)16)15(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3/b14-12-.
What are the key properties of N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide?
N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 266.75 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 56972542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).