2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C13H12N4O2S2 — CID 725562

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3nccs3)[nH]c2c1
InChIInChI=1S/C13H12N4O2S2/c1-19-8-2-3-9-10(6-8)16-13(15-9)21-7-11(18)17-12-14-4-5-20-12/h2-6H,7H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyPBXSTQUDCKKOBF-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.76
Rot. Bonds5

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 725562) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID725562
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3nccs3)[nH]c2c1
InChIInChI=1S/C13H12N4O2S2/c1-19-8-2-3-9-10(6-8)16-13(15-9)21-7-11(18)17-12-14-4-5-20-12/h2-6H,7H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyPBXSTQUDCKKOBF-UHFFFAOYSA-N
XLogP2.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 725562) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc2nc(SCC(=O)Nc3nccs3)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PBXSTQUDCKKOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-19-8-2-3-9-10(6-8)16-13(15-9)21-7-11(18)17-12-14-4-5-20-12/h2-6H,7H2,1H3,(H,15,16)(H,14,17,18).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 725562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).