2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C19H18N6O3S2 — CID 2079935

IUPAC2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1
InChIInChI=1S/C19H18N6O3S2/c1-2-28-15-6-4-3-5-13(15)23-18-24-25-19(30-18)29-10-16(26)20-11-7-8-12-14(9-11)22-17(27)21-12/h3-9H,2,10H2,1H3,(H,20,26)(H,23,24)(H2,21,22,27)
InChIKeySDZRNTRVBKFYFA-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.58
Rot. Bonds8

About 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 2079935) has the molecular formula C19H18N6O3S2 and a molecular weight of 442.53 g/mol. Its IUPAC name is 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID2079935
Molecular FormulaC19H18N6O3S2
Molecular Weight442.53 g/mol
Exact Mass442.09
IUPAC Name2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1
InChIInChI=1S/C19H18N6O3S2/c1-2-28-15-6-4-3-5-13(15)23-18-24-25-19(30-18)29-10-16(26)20-11-7-8-12-14(9-11)22-17(27)21-12/h3-9H,2,10H2,1H3,(H,20,26)(H,23,24)(H2,21,22,27)
InChIKeySDZRNTRVBKFYFA-UHFFFAOYSA-N
XLogP3.58
TPSA124.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 2079935) is 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1.
What is the InChIKey of 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is SDZRNTRVBKFYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S2/c1-2-28-15-6-4-3-5-13(15)23-18-24-25-19(30-18)29-10-16(26)20-11-7-8-12-14(9-11)22-17(27)21-12/h3-9H,2,10H2,1H3,(H,20,26)(H,23,24)(H2,21,22,27).
What are the key properties of 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 442.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 2079935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).