(3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol

C10H9FN2OS — CID 105078312

IUPAC(3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1C(O)c1cccc(F)c1
InChIInChI=1S/C10H9FN2OS/c1-6-10(15-13-12-6)9(14)7-3-2-4-8(11)5-7/h2-5,9,14H,1H3
InChIKeyZSKZKDRCVNFGIE-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.07
Rot. Bonds2

About (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol

(3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol (PubChem CID 105078312) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol
PubChem CID105078312
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name(3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1C(O)c1cccc(F)c1
InChIInChI=1S/C10H9FN2OS/c1-6-10(15-13-12-6)9(14)7-3-2-4-8(11)5-7/h2-5,9,14H,1H3
InChIKeyZSKZKDRCVNFGIE-UHFFFAOYSA-N
XLogP2.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-Fluorophenyl)-1,2,3-thiadiazol-4-yl]methanol
CID 69206022
1-(4-Fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 174925088
(4-Phenyl-1,2,3-Thiadiazol-5-Yl)Methanol
CID 2776524
2-(5-Phenylthiadiazol-4-yl)propan-2-ol
CID 13494833
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
2-(2-Chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 102623087
2-(2-Chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 102623131
1-(4-Tert-butylthiadiazol-5-yl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102623155
2-(2-Chloro-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 102623197
(4-Ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759066
[2-Methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102759173

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol (CID 105078312) is (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol is Cc1nnsc1C(O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol?
The InChIKey is ZSKZKDRCVNFGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-10(15-13-12-6)9(14)7-3-2-4-8(11)5-7/h2-5,9,14H,1H3.
What are the key properties of (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol?
(3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol has a molecular weight of 224.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-methylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105078312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).