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

C13H16FN3S — CID 65268788

IUPAC3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cc(-c2nsc(NCC(C)C)n2)ccc1F
InChIInChI=1S/C13H16FN3S/c1-8(2)7-15-13-16-12(17-18-13)10-4-5-11(14)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyCVHWAWGIHGGILK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.72
Rot. Bonds4

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

3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268788) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268788
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cc(-c2nsc(NCC(C)C)n2)ccc1F
InChIInChI=1S/C13H16FN3S/c1-8(2)7-15-13-16-12(17-18-13)10-4-5-11(14)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyCVHWAWGIHGGILK-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.72
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
1-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazine
CID 2777760
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
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
5-amino-3-(4-fluorophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide
CID 10562700
5-(4-Fluorophenyl)-1,2,4-thiadiazol-3-amine
CID 46741382
5-(1,4-Diazepan-4-ium-1-yl)-3-phenyl-1,2,4-thiadiazole
CID 25272481

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268788) is 3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is Cc1cc(-c2nsc(NCC(C)C)n2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CVHWAWGIHGGILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-8(2)7-15-13-16-12(17-18-13)10-4-5-11(14)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 3.72, 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-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).