N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C15H14ClN5OS2 — CID 2744152

IUPACN-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1nc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cs1
InChIInChI=1S/C15H14ClN5OS2/c1-9-17-12(7-23-9)14-19-20-15(21(14)2)24-8-13(22)18-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,18,22)
InChIKeyCBROBIRKJZOALZ-UHFFFAOYSA-N
MW379.90 g/mol
LogP3.63
Rot. Bonds5

About N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2744152) has the molecular formula C15H14ClN5OS2 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2744152
Molecular FormulaC15H14ClN5OS2
Molecular Weight379.90 g/mol
Exact Mass379.03
IUPAC NameN-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1nc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cs1
InChIInChI=1S/C15H14ClN5OS2/c1-9-17-12(7-23-9)14-19-20-15(21(14)2)24-8-13(22)18-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,18,22)
InChIKeyCBROBIRKJZOALZ-UHFFFAOYSA-N
XLogP3.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6468421
N-(4-chlorophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1130255
N-(4-acetylphenyl)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 995837
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 47158205
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19729082
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19715655
N-(4-chlorophenyl)-2-[[4-methyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19722632
2-[[5-(5-bromo-2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 137071064
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1021309
N-(4-chlorophenyl)-2-[[5-(3-ethoxy-1-ethylpyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16880713
N-(4-chlorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 857472
2-[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 4673840

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2744152) is N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1nc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cs1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is CBROBIRKJZOALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS2/c1-9-17-12(7-23-9)14-19-20-15(21(14)2)24-8-13(22)18-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,18,22).
What are the key properties of N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 379.90 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2744152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).