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

C12H14FN3S — CID 65268994

IUPAC3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(F)cc1-c1nsc(NC(C)C)n1
InChIInChI=1S/C12H14FN3S/c1-7(2)14-12-15-11(16-17-12)10-6-9(13)5-4-8(10)3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyWQKGEKNKJPODCL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.47
Rot. Bonds3

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

3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268994) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268994
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(F)cc1-c1nsc(NC(C)C)n1
InChIInChI=1S/C12H14FN3S/c1-7(2)14-12-15-11(16-17-12)10-6-9(13)5-4-8(10)3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyWQKGEKNKJPODCL-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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
N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975288
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
3-(2-(Trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-amine
CID 43556128
Cyto4A7
CID 2810767
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65268994) is 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is Cc1ccc(F)cc1-c1nsc(NC(C)C)n1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is WQKGEKNKJPODCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-7(2)14-12-15-11(16-17-12)10-6-9(13)5-4-8(10)3/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).