5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine

C14H18FN3S — CID 130433053

IUPAC5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(CCF)s1)C(C)c1ccccc1
InChIInChI=1S/C14H18FN3S/c1-10(12-6-4-3-5-7-12)11(2)16-14-18-17-13(19-14)8-9-15/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)
InChIKeyXLMVBTJOJOOZOO-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.65
Rot. Bonds6

About 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine

5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 130433053) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID130433053
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(CCF)s1)C(C)c1ccccc1
InChIInChI=1S/C14H18FN3S/c1-10(12-6-4-3-5-7-12)11(2)16-14-18-17-13(19-14)8-9-15/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)
InChIKeyXLMVBTJOJOOZOO-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine (CID 130433053) is 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(CCF)s1)C(C)c1ccccc1.
What is the InChIKey of 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XLMVBTJOJOOZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-10(12-6-4-3-5-7-12)11(2)16-14-18-17-13(19-14)8-9-15/h3-7,10-11H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-N-(3-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130433053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).