2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C18H19N5O2S2 — CID 648058

IUPAC2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1nccs1
InChIInChI=1S/C18H19N5O2S2/c24-15(21-17-19-7-10-26-17)12-27-18-20-13-5-1-2-6-14(13)23(18)11-16(25)22-8-3-4-9-22/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,19,21,24)
InChIKeySAHHMHLXOIPTIJ-UHFFFAOYSA-N
MW401.52 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 648058) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID648058
Molecular FormulaC18H19N5O2S2
Molecular Weight401.52 g/mol
Exact Mass401.10
IUPAC Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1nccs1
InChIInChI=1S/C18H19N5O2S2/c24-15(21-17-19-7-10-26-17)12-27-18-20-13-5-1-2-6-14(13)23(18)11-16(25)22-8-3-4-9-22/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,19,21,24)
InChIKeySAHHMHLXOIPTIJ-UHFFFAOYSA-N
XLogP2.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 648058) is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1nccs1.
What is the InChIKey of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SAHHMHLXOIPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c24-15(21-17-19-7-10-26-17)12-27-18-20-13-5-1-2-6-14(13)23(18)11-16(25)22-8-3-4-9-22/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,19,21,24).
What are the key properties of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 401.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 648058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).