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

C12H12FN3S — CID 65271488

IUPAC3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(CNc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C12H12FN3S/c13-10-5-1-8(2-6-10)7-14-12-15-11(16-17-12)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,15,16)
InChIKeySHWGWUBIYQINFQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.17
Rot. Bonds4

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

3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271488) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271488
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(CNc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C12H12FN3S/c13-10-5-1-8(2-6-10)7-14-12-15-11(16-17-12)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,15,16)
InChIKeySHWGWUBIYQINFQ-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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Related Compounds

3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 70975277
N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975288
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 3920694
3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 8065271
3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269255
N-ethyl-3-(4-fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 65269146
N-Ethyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 12725098
2-Benzyl-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine
CID 509136
3-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 3907329
3-[(4-fluorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 4558899
N-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 45941564

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271488) is 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is Fc1ccc(CNc2nc(C3CC3)ns2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SHWGWUBIYQINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c13-10-5-1-8(2-6-10)7-14-12-15-11(16-17-12)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,15,16).
What are the key properties of 3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(4-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-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).