1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol

C13H15FN2OS — CID 174925088

IUPAC1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
SMILESCc1nnsc1C(O)(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H15FN2OS/c1-8(2)13(17,12-9(3)15-16-18-12)10-4-6-11(14)7-5-10/h4-8,17H,1-3H3
InChIKeyKDSINRWKLJIACO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol

1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol (PubChem CID 174925088) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
PubChem CID174925088
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
SMILESCc1nnsc1C(O)(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H15FN2OS/c1-8(2)13(17,12-9(3)15-16-18-12)10-4-6-11(14)7-5-10/h4-8,17H,1-3H3
InChIKeyKDSINRWKLJIACO-UHFFFAOYSA-N
XLogP2.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol (CID 174925088) is 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol is Cc1nnsc1C(O)(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol?
The InChIKey is KDSINRWKLJIACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8(2)13(17,12-9(3)15-16-18-12)10-4-6-11(14)7-5-10/h4-8,17H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol?
1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 174925088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).