2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C18H16N6OS2 — CID 1432744

IUPAC2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)s1
InChIInChI=1S/C18H16N6OS2/c1-2-15-23-24-18(27-15)22-14(25)10-26-16-8-7-11(9-19-16)17-20-12-5-3-4-6-13(12)21-17/h3-9H,2,10H2,1H3,(H,20,21)(H,22,24,25)
InChIKeyXNFITKQJNDDRLR-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.77
Rot. Bonds6

About 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1432744) has the molecular formula C18H16N6OS2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1432744
Molecular FormulaC18H16N6OS2
Molecular Weight396.50 g/mol
Exact Mass396.08
IUPAC Name2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)s1
InChIInChI=1S/C18H16N6OS2/c1-2-15-23-24-18(27-15)22-14(25)10-26-16-8-7-11(9-19-16)17-20-12-5-3-4-6-13(12)21-17/h3-9H,2,10H2,1H3,(H,20,21)(H,22,24,25)
InChIKeyXNFITKQJNDDRLR-UHFFFAOYSA-N
XLogP3.77
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1432744) is 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)s1.
What is the InChIKey of 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XNFITKQJNDDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS2/c1-2-15-23-24-18(27-15)22-14(25)10-26-16-8-7-11(9-19-16)17-20-12-5-3-4-6-13(12)21-17/h3-9H,2,10H2,1H3,(H,20,21)(H,22,24,25).
What are the key properties of 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 396.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1432744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).