2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole

C12H13FN2S — CID 123200383

IUPAC2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(C(C)C)s2)c(F)c1
InChIInChI=1S/C12H13FN2S/c1-7(2)11-14-15-12(16-11)9-5-4-8(3)6-10(9)13/h4-7H,1-3H3
InChIKeyGFBOYOXUTAOGTK-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.78
Rot. Bonds2

About 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole

2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 123200383) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID123200383
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(C(C)C)s2)c(F)c1
InChIInChI=1S/C12H13FN2S/c1-7(2)11-14-15-12(16-11)9-5-4-8(3)6-10(9)13/h4-7H,1-3H3
InChIKeyGFBOYOXUTAOGTK-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55056781
1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62308724
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-amine
CID 83107735
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-ol
CID 130501515
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154491
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 59525067
2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
CID 63383605
4-[(1R,3R)-3-[5-(2-fluoro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130466738
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
5-methyl-2-(2,4,5-trifluorophenyl)aniline
CID 82766150

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole (CID 123200383) is 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole is Cc1ccc(-c2nnc(C(C)C)s2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is GFBOYOXUTAOGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-7(2)11-14-15-12(16-11)9-5-4-8(3)6-10(9)13/h4-7H,1-3H3.
What are the key properties of 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 236.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 123200383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).