3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine

C14H14F3N3S — CID 133429620

IUPAC3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCc1ccc(Nc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C14H14F3N3S/c15-14(16,17)8-7-9-1-5-11(6-2-9)18-13-19-12(20-21-13)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,18,19,20)
InChIKeyDUKIAQNECLDIKC-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.65
Rot. Bonds5

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

3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133429620) has the molecular formula C14H14F3N3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine
PubChem CID133429620
Molecular FormulaC14H14F3N3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCc1ccc(Nc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C14H14F3N3S/c15-14(16,17)8-7-9-1-5-11(6-2-9)18-13-19-12(20-21-13)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,18,19,20)
InChIKeyDUKIAQNECLDIKC-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine (CID 133429620) is 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)CCc1ccc(Nc2nc(C3CC3)ns2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DUKIAQNECLDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3S/c15-14(16,17)8-7-9-1-5-11(6-2-9)18-13-19-12(20-21-13)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,18,19,20).
What are the key properties of 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 313.35 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133429620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).