2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide

C15H17N5OS4 — CID 2982642

IUPAC2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
SMILESCCCSc1ccc2nc(NC(=O)CSc3nc(SC)ns3)[nH]c2c1
InChIInChI=1S/C15H17N5OS4/c1-3-6-23-9-4-5-10-11(7-9)17-13(16-10)18-12(21)8-24-15-19-14(22-2)20-25-15/h4-5,7H,3,6,8H2,1-2H3,(H2,16,17,18,21)
InChIKeySIZRWTJVZFTPND-UHFFFAOYSA-N
MW411.60 g/mol
LogP4.37
Rot. Bonds8

About 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide

2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide (PubChem CID 2982642) has the molecular formula C15H17N5OS4 and a molecular weight of 411.60 g/mol. Its IUPAC name is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
PubChem CID2982642
Molecular FormulaC15H17N5OS4
Molecular Weight411.60 g/mol
Exact Mass411.03
IUPAC Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
SMILESCCCSc1ccc2nc(NC(=O)CSc3nc(SC)ns3)[nH]c2c1
InChIInChI=1S/C15H17N5OS4/c1-3-6-23-9-4-5-10-11(7-9)17-13(16-10)18-12(21)8-24-15-19-14(22-2)20-25-15/h4-5,7H,3,6,8H2,1-2H3,(H2,16,17,18,21)
InChIKeySIZRWTJVZFTPND-UHFFFAOYSA-N
XLogP4.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
CID 2729289
2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide
CID 165389323
N-(4-hydroxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 3446883
N-(3,4-difluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 3163265
[6-[(E)-pent-3-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21318020
N-(9,10-dioxoanthracen-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 6492795
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 4034707
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2982579
N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001
[6-[(E)-but-2-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21328024
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
CID 2644334
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2037593

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide?
The IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide (CID 2982642) is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide is CCCSc1ccc2nc(NC(=O)CSc3nc(SC)ns3)[nH]c2c1.
What is the InChIKey of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide?
The InChIKey is SIZRWTJVZFTPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS4/c1-3-6-23-9-4-5-10-11(7-9)17-13(16-10)18-12(21)8-24-15-19-14(22-2)20-25-15/h4-5,7H,3,6,8H2,1-2H3,(H2,16,17,18,21).
What are the key properties of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide?
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide has a molecular weight of 411.60 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 2982642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).