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

C13H13ClN2OS2 — CID 2532896

IUPACN-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN2OS2/c1-9-7-18-13(16-9)19-8-12(17)15-6-10-4-2-3-5-11(10)14/h2-5,7H,6,8H2,1H3,(H,15,17)
InChIKeySHJPAYZVCYVECS-UHFFFAOYSA-N
MW312.85 g/mol
LogP3.51
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2532896) has the molecular formula C13H13ClN2OS2 and a molecular weight of 312.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2532896
Molecular FormulaC13H13ClN2OS2
Molecular Weight312.85 g/mol
Exact Mass312.02
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN2OS2/c1-9-7-18-13(16-9)19-8-12(17)15-6-10-4-2-3-5-11(10)14/h2-5,7H,6,8H2,1H3,(H,15,17)
InChIKeySHJPAYZVCYVECS-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2532896) is N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SHJPAYZVCYVECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS2/c1-9-7-18-13(16-9)19-8-12(17)15-6-10-4-2-3-5-11(10)14/h2-5,7H,6,8H2,1H3,(H,15,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 312.85 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2532896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).