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

C12H12FN3S — CID 65268600

IUPACN-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cc(-c2nsc(NC3CC3)n2)ccc1F
InChIInChI=1S/C12H12FN3S/c1-7-6-8(2-5-10(7)13)11-15-12(17-16-11)14-9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H,14,15,16)
InChIKeyJMBHXOXVBKWICI-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.23
Rot. Bonds3

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

N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268600) has the molecular formula C12H12FN3S and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268600
Molecular FormulaC12H12FN3S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC NameN-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cc(-c2nsc(NC3CC3)n2)ccc1F
InChIInChI=1S/C12H12FN3S/c1-7-6-8(2-5-10(7)13)11-15-12(17-16-11)14-9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H,14,15,16)
InChIKeyJMBHXOXVBKWICI-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 70975277
3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 8065271
3-(3-(Trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-amine
CID 43556074
3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269255
N-ethyl-3-(4-fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 65269146
N-Ethyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 12725098
2-Benzyl-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine
CID 509136
3-[(4-fluorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 4558899
N-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 45941564
N-[1-(4-fluorophenyl)ethyl]-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46983741
3-(3,4-Difluoro-phenyl)-[1,2,4]thiadiazol-5-ylamine
CID 43658693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine (CID 65268600) is N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine is Cc1cc(-c2nsc(NC3CC3)n2)ccc1F.
What is the InChIKey of N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JMBHXOXVBKWICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3S/c1-7-6-8(2-5-10(7)13)11-15-12(17-16-11)14-9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H,14,15,16).
What are the key properties of N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 249.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).