2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile

C13H11N5S — CID 65207796

IUPAC2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile
SMILESCCc1nnsc1-c1nc2cc(C#N)ccc2n1C
InChIInChI=1S/C13H11N5S/c1-3-9-12(19-17-16-9)13-15-10-6-8(7-14)4-5-11(10)18(13)2/h4-6H,3H2,1-2H3
InChIKeySRJBUUIAYSTTPG-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.53
Rot. Bonds2

About 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile

2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile (PubChem CID 65207796) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile
PubChem CID65207796
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile
SMILESCCc1nnsc1-c1nc2cc(C#N)ccc2n1C
InChIInChI=1S/C13H11N5S/c1-3-9-12(19-17-16-9)13-15-10-6-8(7-14)4-5-11(10)18(13)2/h4-6H,3H2,1-2H3
InChIKeySRJBUUIAYSTTPG-UHFFFAOYSA-N
XLogP2.53
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile (CID 65207796) is 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile is CCc1nnsc1-c1nc2cc(C#N)ccc2n1C.
What is the InChIKey of 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is SRJBUUIAYSTTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-3-9-12(19-17-16-9)13-15-10-6-8(7-14)4-5-11(10)18(13)2/h4-6H,3H2,1-2H3.
What are the key properties of 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile?
2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 269.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65207796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).