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

C12H14FN3S — CID 65268581

IUPAC3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ccc(F)c(C)c2)ns1
InChIInChI=1S/C12H14FN3S/c1-3-6-14-12-15-11(16-17-12)9-4-5-10(13)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyBGJSNGJWFKTTLL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.47
Rot. Bonds4

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

3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268581) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65268581
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ccc(F)c(C)c2)ns1
InChIInChI=1S/C12H14FN3S/c1-3-6-14-12-15-11(16-17-12)9-4-5-10(13)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyBGJSNGJWFKTTLL-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CID 28561
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 852344
1-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazine
CID 2777760
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 852345
N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 2725972
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 70975277
N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975288
5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole
CID 2737169
5-(Dimethylamino)-2-methyl-3-phenyl-1,2,4-thiadiazol-2-ium
CID 701091
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 3920694
3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 8065271

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65268581) is 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(-c2ccc(F)c(C)c2)ns1.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is BGJSNGJWFKTTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-3-6-14-12-15-11(16-17-12)9-4-5-10(13)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,16).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).