2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine

C12H14N6S — CID 146043131

IUPAC2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
SMILESCN(CCn1cnc2ccccc21)c1nnc(N)s1
InChIInChI=1S/C12H14N6S/c1-17(12-16-15-11(13)19-12)6-7-18-8-14-9-4-2-3-5-10(9)18/h2-5,8H,6-7H2,1H3,(H2,13,15)
InChIKeyRZNQORYMKYZTTL-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.61
Rot. Bonds4

About 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine

2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 146043131) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID146043131
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
SMILESCN(CCn1cnc2ccccc21)c1nnc(N)s1
InChIInChI=1S/C12H14N6S/c1-17(12-16-15-11(13)19-12)6-7-18-8-14-9-4-2-3-5-10(9)18/h2-5,8H,6-7H2,1H3,(H2,13,15)
InChIKeyRZNQORYMKYZTTL-UHFFFAOYSA-N
XLogP1.61
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine
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1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine (CID 146043131) is 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine is CN(CCn1cnc2ccccc21)c1nnc(N)s1.
What is the InChIKey of 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is RZNQORYMKYZTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-17(12-16-15-11(13)19-12)6-7-18-8-14-9-4-2-3-5-10(9)18/h2-5,8H,6-7H2,1H3,(H2,13,15).
What are the key properties of 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 274.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(benzimidazol-1-yl)ethyl]-2-N-methyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 146043131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).