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

C17H14N4O2S2 — CID 1414676

IUPACN-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3nc4ccccc4s3)[nH]c2c1
InChIInChI=1S/C17H14N4O2S2/c1-23-10-6-7-11-13(8-10)20-16(18-11)24-9-15(22)21-17-19-12-4-2-3-5-14(12)25-17/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyHTTHNBKCCMGOFN-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.91
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 1414676) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID1414676
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3nc4ccccc4s3)[nH]c2c1
InChIInChI=1S/C17H14N4O2S2/c1-23-10-6-7-11-13(8-10)20-16(18-11)24-9-15(22)21-17-19-12-4-2-3-5-14(12)25-17/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyHTTHNBKCCMGOFN-UHFFFAOYSA-N
XLogP3.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1378932
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1238182
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-5-carboxylate
CID 11964478
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1399536
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135413056
N-(2,6-difluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2081440
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
N-(1,3-benzothiazol-2-yl)-2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136684404
N-(2-ethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2610679
dimethyl 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 18078072
[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate
CID 23856518

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 1414676) is N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(SCC(=O)Nc3nc4ccccc4s3)[nH]c2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is HTTHNBKCCMGOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-23-10-6-7-11-13(8-10)20-16(18-11)24-9-15(22)21-17-19-12-4-2-3-5-14(12)25-17/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1414676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).