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

C12H11ClN2OS — CID 14442056

IUPAC2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N\C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c1-15-6-7-17-12(15)14-11(16)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3/b14-12-
InChIKeyBCZNJJXJUXIBKP-OWBHPGMISA-N
MW266.75 g/mol
LogP2.41
Rot. Bonds2

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

2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 14442056) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID14442056
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N\C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c1-15-6-7-17-12(15)14-11(16)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3/b14-12-
InChIKeyBCZNJJXJUXIBKP-OWBHPGMISA-N
XLogP2.41
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 14442056) is 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is Cn1ccs/c1=N\C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is BCZNJJXJUXIBKP-OWBHPGMISA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-15-6-7-17-12(15)14-11(16)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3/b14-12-.
What are the key properties of 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 266.75 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 14442056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).