3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine

C12H11N5S — CID 114202907

IUPAC3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine
SMILESNc1ccc2nc(-c3csnn3)n(C3CC3)c2c1
InChIInChI=1S/C12H11N5S/c13-7-1-4-9-11(5-7)17(8-2-3-8)12(14-9)10-6-18-16-15-10/h1,4-6,8H,2-3,13H2
InChIKeyCTYXPEVBVNEGRH-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.47
Rot. Bonds2

About 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine

3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine (PubChem CID 114202907) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine
PubChem CID114202907
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine
SMILESNc1ccc2nc(-c3csnn3)n(C3CC3)c2c1
InChIInChI=1S/C12H11N5S/c13-7-1-4-9-11(5-7)17(8-2-3-8)12(14-9)10-6-18-16-15-10/h1,4-6,8H,2-3,13H2
InChIKeyCTYXPEVBVNEGRH-UHFFFAOYSA-N
XLogP2.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine?
The IUPAC name of 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine (CID 114202907) is 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine?
The canonical SMILES for 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine is Nc1ccc2nc(-c3csnn3)n(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine?
The InChIKey is CTYXPEVBVNEGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c13-7-1-4-9-11(5-7)17(8-2-3-8)12(14-9)10-6-18-16-15-10/h1,4-6,8H,2-3,13H2.
What are the key properties of 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine?
3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine has a molecular weight of 257.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine is sourced from PubChem (CID 114202907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).