N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H8Cl2N4OS — CID 712247

IUPACN-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N4OS/c11-7-2-1-6(3-8(7)12)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4H2,(H,15,17)(H,13,14,16)
InChIKeyMMYFUBLVYWJTPI-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.84
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 712247) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID712247
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC NameN-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N4OS/c11-7-2-1-6(3-8(7)12)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4H2,(H,15,17)(H,13,14,16)
InChIKeyMMYFUBLVYWJTPI-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 816658
N-[4-(acetylamino)phenyl]-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2223265
N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 712474
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4077853
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 4596904
N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684406
N-(3-Chloro-2-methylphenyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide hydrochloride
CID 45054225
N-(4-chlorophenyl)-3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 851334
N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3935379
N-(3-Chloro-4-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 582348
N-(4-chloro-2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 674817
2-(4H-1,2,4-triazol-3-ylthio)-N-(2-fluorophenyl)acetamide
CID 712244

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 712247) is N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is MMYFUBLVYWJTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c11-7-2-1-6(3-8(7)12)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4H2,(H,15,17)(H,13,14,16).
What are the key properties of N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 303.17 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 712247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).