3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine

C11H15N5S — CID 75484718

IUPAC3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCn1cncc1CCNc1nc(C2CC2)ns1
InChIInChI=1S/C11H15N5S/c1-16-7-12-6-9(16)4-5-13-11-14-10(15-17-11)8-2-3-8/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyHBXSUJAPWSCDBC-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.80
Rot. Bonds5

About 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 75484718) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID75484718
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCn1cncc1CCNc1nc(C2CC2)ns1
InChIInChI=1S/C11H15N5S/c1-16-7-12-6-9(16)4-5-13-11-14-10(15-17-11)8-2-3-8/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyHBXSUJAPWSCDBC-UHFFFAOYSA-N
XLogP1.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 75484718) is 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine is Cn1cncc1CCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is HBXSUJAPWSCDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-16-7-12-6-9(16)4-5-13-11-14-10(15-17-11)8-2-3-8/h6-8H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75484718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).