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

C11H12FN3S — CID 65269082

IUPACN-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ccc(F)c(C)c2)ns1
InChIInChI=1S/C11H12FN3S/c1-3-13-11-14-10(15-16-11)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeySEGQWMIMIFIZLV-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.08
Rot. Bonds3

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

N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65269082) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID65269082
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC NameN-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ccc(F)c(C)c2)ns1
InChIInChI=1S/C11H12FN3S/c1-3-13-11-14-10(15-16-11)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeySEGQWMIMIFIZLV-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine (CID 65269082) is N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(-c2ccc(F)c(C)c2)ns1.
What is the InChIKey of N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SEGQWMIMIFIZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-3-13-11-14-10(15-16-11)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).