N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C12H12N6O2S — CID 601309

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3nonc3N)[nH]c2c1
InChIInChI=1S/C12H12N6O2S/c1-6-2-3-7-8(4-6)15-12(14-7)21-5-9(19)16-11-10(13)17-20-18-11/h2-4H,5H2,1H3,(H2,13,17)(H,14,15)(H,16,18,19)
InChIKeyRDHAPUIQDIDISG-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.57
Rot. Bonds4

About N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 601309) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID601309
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3nonc3N)[nH]c2c1
InChIInChI=1S/C12H12N6O2S/c1-6-2-3-7-8(4-6)15-12(14-7)21-5-9(19)16-11-10(13)17-20-18-11/h2-4H,5H2,1H3,(H2,13,17)(H,14,15)(H,16,18,19)
InChIKeyRDHAPUIQDIDISG-UHFFFAOYSA-N
XLogP1.57
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrrolidine-2,5-dione, 1-[4-(2-benzimidazolylthiomethyl)phenyl]-
CID 604704
N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 776782
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-nitrophenyl)-
CID 218693
N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2433271
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2522994
2-[(5-methyl-1H-benzimidazol-2-yl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810019
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide
CID 4809882
2-[(4-nitrobenzyl)thio]-1H-benzimidazole
CID 689422
2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
CID 706117
2-(1H-benzimidazol-2-ylthio)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 1202330
N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 755576
N-cyclopropyl-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2389481

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 601309) is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)Nc3nonc3N)[nH]c2c1.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is RDHAPUIQDIDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-6-2-3-7-8(4-6)15-12(14-7)21-5-9(19)16-11-10(13)17-20-18-11/h2-4H,5H2,1H3,(H2,13,17)(H,14,15)(H,16,18,19).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 601309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).