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

C12H12FN3S — CID 65270972

IUPAC3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccccc1CNc1nc(C2CC2)ns1
InChIInChI=1S/C12H12FN3S/c13-10-4-2-1-3-9(10)7-14-12-15-11(16-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16)
InChIKeyWWWKKMFBQUEBDN-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.17
Rot. Bonds4

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

3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65270972) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65270972
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccccc1CNc1nc(C2CC2)ns1
InChIInChI=1S/C12H12FN3S/c13-10-4-2-1-3-9(10)7-14-12-15-11(16-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16)
InChIKeyWWWKKMFBQUEBDN-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65270972) is 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is Fc1ccccc1CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is WWWKKMFBQUEBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c13-10-4-2-1-3-9(10)7-14-12-15-11(16-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16).
What are the key properties of 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 249.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).