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

C13H13ClN2OS — CID 11150209

IUPACN-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\scc(C)n1Cc1ccccc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-9-8-18-13(15-10(2)17)16(9)7-11-5-3-4-6-12(11)14/h3-6,8H,7H2,1-2H3/b15-13-
InChIKeyXPJOEDJRBHGTNZ-SQFISAMPSA-N
MW280.78 g/mol
LogP3.01
Rot. Bonds2

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

N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide (PubChem CID 11150209) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide
PubChem CID11150209
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\scc(C)n1Cc1ccccc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-9-8-18-13(15-10(2)17)16(9)7-11-5-3-4-6-12(11)14/h3-6,8H,7H2,1-2H3/b15-13-
InChIKeyXPJOEDJRBHGTNZ-SQFISAMPSA-N
XLogP3.01
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.01
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-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide (CID 11150209) is N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide is CC(=O)/N=c1\scc(C)n1Cc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide?
The InChIKey is XPJOEDJRBHGTNZ-SQFISAMPSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-9-8-18-13(15-10(2)17)16(9)7-11-5-3-4-6-12(11)14/h3-6,8H,7H2,1-2H3/b15-13-.
What are the key properties of N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide?
N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 280.78 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 11150209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).