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

C10H10FN3S — CID 61037549

IUPACN-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C10H10FN3S/c1-2-12-10-14-13-9(15-10)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,14)
InChIKeyZMLOLNWWZMNSED-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.78
Rot. Bonds3

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

N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 61037549) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID61037549
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC NameN-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C10H10FN3S/c1-2-12-10-14-13-9(15-10)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,14)
InChIKeyZMLOLNWWZMNSED-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 61037549) is N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2ccccc2F)s1.
What is the InChIKey of N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZMLOLNWWZMNSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-2-12-10-14-13-9(15-10)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 61037549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).