2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C14H15N5OS2 — CID 766872

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C14H15N5OS2/c1-2-5-12-18-19-14(22-12)17-11(20)8-21-13-15-9-6-3-4-7-10(9)16-13/h3-4,6-7H,2,5,8H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyUZUHXOZGUNACKA-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.10
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 766872) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID766872
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C14H15N5OS2/c1-2-5-12-18-19-14(22-12)17-11(20)8-21-13-15-9-6-3-4-7-10(9)16-13/h3-4,6-7H,2,5,8H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyUZUHXOZGUNACKA-UHFFFAOYSA-N
XLogP3.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 766872) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UZUHXOZGUNACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-2-5-12-18-19-14(22-12)17-11(20)8-21-13-15-9-6-3-4-7-10(9)16-13/h3-4,6-7H,2,5,8H2,1H3,(H,15,16)(H,17,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 766872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).