5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine

C15H15N5S — CID 86805617

IUPAC5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-n2ccnc2)c(CNc2nnc(C3CC3)s2)c1
InChIInChI=1S/C15H15N5S/c1-2-4-13(20-8-7-16-10-20)12(3-1)9-17-15-19-18-14(21-15)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,17,19)
InChIKeyBCRWKLAAVUGUIR-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.21
Rot. Bonds5

About 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 86805617) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID86805617
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-n2ccnc2)c(CNc2nnc(C3CC3)s2)c1
InChIInChI=1S/C15H15N5S/c1-2-4-13(20-8-7-16-10-20)12(3-1)9-17-15-19-18-14(21-15)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,17,19)
InChIKeyBCRWKLAAVUGUIR-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 86805617) is 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine is c1ccc(-n2ccnc2)c(CNc2nnc(C3CC3)s2)c1.
What is the InChIKey of 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BCRWKLAAVUGUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-2-4-13(20-8-7-16-10-20)12(3-1)9-17-15-19-18-14(21-15)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,17,19).
What are the key properties of 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86805617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).