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

C10H10FN3S2 — CID 2495034

IUPAC5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(Nc2ccccc2F)s1
InChIInChI=1S/C10H10FN3S2/c1-2-15-10-14-13-9(16-10)12-8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H,12,13)
InChIKeyAMDGYTBZEJVWMZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.53
Rot. Bonds4

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

5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2495034) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID2495034
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(Nc2ccccc2F)s1
InChIInChI=1S/C10H10FN3S2/c1-2-15-10-14-13-9(16-10)12-8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H,12,13)
InChIKeyAMDGYTBZEJVWMZ-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 2495034) is 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine is CCSc1nnc(Nc2ccccc2F)s1.
What is the InChIKey of 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AMDGYTBZEJVWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c1-2-15-10-14-13-9(16-10)12-8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 255.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2495034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).