4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine

C12H13N5S — CID 55177426

IUPAC4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
SMILESCCc1nc2ccccc2n1Cc1nnsc1N
InChIInChI=1S/C12H13N5S/c1-2-11-14-8-5-3-4-6-10(8)17(11)7-9-12(13)18-16-15-9/h3-6H,2,7,13H2,1H3
InChIKeyXOYKXUVUWRYLDX-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.08
Rot. Bonds3

About 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine

4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine (PubChem CID 55177426) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
PubChem CID55177426
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
SMILESCCc1nc2ccccc2n1Cc1nnsc1N
InChIInChI=1S/C12H13N5S/c1-2-11-14-8-5-3-4-6-10(8)17(11)7-9-12(13)18-16-15-9/h3-6H,2,7,13H2,1H3
InChIKeyXOYKXUVUWRYLDX-UHFFFAOYSA-N
XLogP2.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 115971046
5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
CID 112683284
5-[(2-ethylbenzimidazol-1-yl)methyl]pyrazin-2-amine
CID 103057307
2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide
CID 116622514
3-chloro-2-[(2-ethylbenzimidazol-1-yl)methyl]aniline
CID 63745945
2-[(2-ethylbenzimidazol-1-yl)methyl]-3-fluoroaniline
CID 63331439
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile
CID 63640515
4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973965
1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
CID 63106530
N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686
2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105164911
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine (CID 55177426) is 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine is CCc1nc2ccccc2n1Cc1nnsc1N.
What is the InChIKey of 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is XOYKXUVUWRYLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-2-11-14-8-5-3-4-6-10(8)17(11)7-9-12(13)18-16-15-9/h3-6H,2,7,13H2,1H3.
What are the key properties of 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine?
4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 259.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 55177426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).