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

C14H11Cl2N5OS2 — CID 2409358

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H11Cl2N5OS2/c1-21-7-17-20-14(21)24-6-12(22)19-13-18-11(5-23-13)8-2-3-9(15)10(16)4-8/h2-5,7H,6H2,1H3,(H,18,19,22)
InChIKeyYLDFAQJJCPSUTK-UHFFFAOYSA-N
MW400.32 g/mol
LogP3.98
Rot. Bonds5

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

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2409358) has the molecular formula C14H11Cl2N5OS2 and a molecular weight of 400.32 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2409358
Molecular FormulaC14H11Cl2N5OS2
Molecular Weight400.32 g/mol
Exact Mass398.98
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H11Cl2N5OS2/c1-21-7-17-20-14(21)24-6-12(22)19-13-18-11(5-23-13)8-2-3-9(15)10(16)4-8/h2-5,7H,6H2,1H3,(H,18,19,22)
InChIKeyYLDFAQJJCPSUTK-UHFFFAOYSA-N
XLogP3.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 861927
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4542330
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420018
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 2446277
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 767227
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]acetamide
CID 2200894
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2222467
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2224938
2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-thiazol-2-yl-acetamide
CID 44594981
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 4289897
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 807141
2-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 1589740

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2409358) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is YLDFAQJJCPSUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5OS2/c1-21-7-17-20-14(21)24-6-12(22)19-13-18-11(5-23-13)8-2-3-9(15)10(16)4-8/h2-5,7H,6H2,1H3,(H,18,19,22).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 400.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2409358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).