2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide

C13H12N4OS2 — CID 6500981

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1nccs1
InChIInChI=1S/C13H12N4OS2/c1-8(11(18)17-12-14-6-7-19-12)20-13-15-9-4-2-3-5-10(9)16-13/h2-8H,1H3,(H,15,16)(H,14,17,18)
InChIKeyKTEBCRSXUKVTAQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.14
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 6500981) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID6500981
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1nccs1
InChIInChI=1S/C13H12N4OS2/c1-8(11(18)17-12-14-6-7-19-12)20-13-15-9-4-2-3-5-10(9)16-13/h2-8H,1H3,(H,15,16)(H,14,17,18)
InChIKeyKTEBCRSXUKVTAQ-UHFFFAOYSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide (CID 6500981) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide is CC(Sc1nc2ccccc2[nH]1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is KTEBCRSXUKVTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-8(11(18)17-12-14-6-7-19-12)20-13-15-9-4-2-3-5-10(9)16-13/h2-8H,1H3,(H,15,16)(H,14,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 304.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 6500981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).