N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine

C11H12FN3S2 — CID 2588676

IUPACN-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCSc1nnc(Nc2ccccc2F)s1
InChIInChI=1S/C11H12FN3S2/c1-2-7-16-11-15-14-10(17-11)13-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyZMVNHYAVIGVREA-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.92
Rot. Bonds5

About N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine

N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 2588676) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID2588676
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC NameN-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCSc1nnc(Nc2ccccc2F)s1
InChIInChI=1S/C11H12FN3S2/c1-2-7-16-11-15-14-10(17-11)13-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyZMVNHYAVIGVREA-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine (CID 2588676) is N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine is CCCSc1nnc(Nc2ccccc2F)s1.
What is the InChIKey of N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZMVNHYAVIGVREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-2-7-16-11-15-14-10(17-11)13-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 269.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2588676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).