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

C12H12FN3S2 — CID 66066527

IUPACN-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(SCc2nsc(NC3CC3)n2)cc1
InChIInChI=1S/C12H12FN3S2/c13-8-1-5-10(6-2-8)17-7-11-15-12(18-16-11)14-9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,15,16)
InChIKeyJFUHIPIYHKBNCK-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.54
Rot. Bonds5

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

N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 66066527) has the molecular formula C12H12FN3S2 and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
PubChem CID66066527
Molecular FormulaC12H12FN3S2
Molecular Weight281.38 g/mol
Exact Mass281.05
IUPAC NameN-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(SCc2nsc(NC3CC3)n2)cc1
InChIInChI=1S/C12H12FN3S2/c13-8-1-5-10(6-2-8)17-7-11-15-12(18-16-11)14-9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,15,16)
InChIKeyJFUHIPIYHKBNCK-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (CID 66066527) is N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is Fc1ccc(SCc2nsc(NC3CC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is JFUHIPIYHKBNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S2/c13-8-1-5-10(6-2-8)17-7-11-15-12(18-16-11)14-9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,15,16).
What are the key properties of N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 281.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66066527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).