5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine

C11H11N5S — CID 80607994

IUPAC5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cn2cnc3ccccc32)s1
InChIInChI=1S/C11H11N5S/c1-12-11-15-14-10(17-11)6-16-7-13-8-4-2-3-5-9(8)16/h2-5,7H,6H2,1H3,(H,12,15)
InChIKeyUVSCPTHWHDNIQM-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.98
Rot. Bonds3

About 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607994) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80607994
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cn2cnc3ccccc32)s1
InChIInChI=1S/C11H11N5S/c1-12-11-15-14-10(17-11)6-16-7-13-8-4-2-3-5-9(8)16/h2-5,7H,6H2,1H3,(H,12,15)
InChIKeyUVSCPTHWHDNIQM-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 86909345
5-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62207288
5-bromo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608564
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 112684885
1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728741
4-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62466505
bis(1-butylbenzimidazole);ethane
CID 142164287
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62447423
[4-(benzimidazol-1-ylmethyl)thiadiazol-5-yl]hydrazine
CID 62246338
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 80607994) is 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(Cn2cnc3ccccc32)s1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UVSCPTHWHDNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-12-11-15-14-10(17-11)6-16-7-13-8-4-2-3-5-9(8)16/h2-5,7H,6H2,1H3,(H,12,15).
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 245.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).