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

C12H11ClN2OS2 — CID 31288561

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N\C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS2/c1-15-6-7-17-12(15)14-11(16)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3/b14-12-
InChIKeyDDPDQXBWHULVHO-OWBHPGMISA-N
MW298.82 g/mol
LogP2.96
Rot. Bonds3

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

2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 31288561) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID31288561
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N\C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS2/c1-15-6-7-17-12(15)14-11(16)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3/b14-12-
InChIKeyDDPDQXBWHULVHO-OWBHPGMISA-N
XLogP2.96
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 31288561) is 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is Cn1ccs/c1=N\C(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is DDPDQXBWHULVHO-OWBHPGMISA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c1-15-6-7-17-12(15)14-11(16)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3/b14-12-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 298.82 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 31288561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).