1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone

C15H17FN2OS — CID 105376814

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C15H17FN2OS/c1-9-5-6-11(16)7-10(9)8-12(19)13-14(15(2,3)4)17-18-20-13/h5-7H,8H2,1-4H3
InChIKeyNWXHUHCLNCGSOO-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.71
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone

1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 105376814) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone
PubChem CID105376814
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C15H17FN2OS/c1-9-5-6-11(16)7-10(9)8-12(19)13-14(15(2,3)4)17-18-20-13/h5-7H,8H2,1-4H3
InChIKeyNWXHUHCLNCGSOO-UHFFFAOYSA-N
XLogP3.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
CID 105083876
2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105081673
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone
CID 107561535
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
(4-tert-butylthiadiazol-5-yl)-(2,6-difluorophenyl)methanone
CID 105100918
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155
4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide
CID 65205040
1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062904
1-(4-tert-butylthiadiazol-5-yl)-5,5-dimethylhexan-1-one
CID 114210800
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone (CID 105376814) is 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1CC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is NWXHUHCLNCGSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-9-5-6-11(16)7-10(9)8-12(19)13-14(15(2,3)4)17-18-20-13/h5-7H,8H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone?
1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 105376814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).