methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol

C11H12F3N2O2PS — CID 143044892

IUPACmethylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol
SMILESCP.OCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1
InChIInChI=1S/C10H7F3N2O2S.CH5P/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)18-15-9;1-2/h1-4,16H,5H2;2H2,1H3
InChIKeyKSRVAUUWPGBYPO-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.09
Rot. Bonds3

About methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol

methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol (PubChem CID 143044892) has the molecular formula C11H12F3N2O2PS and a molecular weight of 324.26 g/mol. Its IUPAC name is methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol.

Molecular Properties

Compound Namemethylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol
PubChem CID143044892
Molecular FormulaC11H12F3N2O2PS
Molecular Weight324.26 g/mol
Exact Mass324.03
IUPAC Namemethylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol
SMILESCP.OCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1
InChIInChI=1S/C10H7F3N2O2S.CH5P/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)18-15-9;1-2/h1-4,16H,5H2;2H2,1H3
InChIKeyKSRVAUUWPGBYPO-UHFFFAOYSA-N
XLogP3.09
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
Ethyl 3-(4-methoxyphenyl)-[1,2,4]thiadiazole-5-carboxylate
CID 12601460
N-tert-butyl-1-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]methanimine oxide
CID 25132880
3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 16446930
4-Methyl-5-(4-trifluoromethoxyphenyl)-4h-1,2,4-triazol-3-ylmethanol
CID 168008001
[3-(4-Trifluoromethoxyphenyl)[1,2,4]thiadiazol-5-yl]methanol
CID 16756658
5-Bromomethyl-3-(4-trifluoromethoxyphenyl)[1,2,4]thiadiazole
CID 16756659
[5-(4-Trifluoromethoxyphenyl)[1,2,4]thiadiazol-3-yl]methanol
CID 16756775
3-Bromomethyl-5-(4-trifluoromethoxyphenyl)[1,2,4]thiadiazole
CID 16756776
3-(4-Trifluoromethoxyphenyl)-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester
CID 16756983
Ethyl 5-(4-(trifluoromethoxy)phenyl)-1,2,4-thiadiazole-3-carboxylate
CID 16756989
3-[3-(Difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole
CID 20595456

Frequently Asked Questions

What is the IUPAC name of methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol?
The IUPAC name of methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol (CID 143044892) is methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol.
What is the SMILES notation for methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol?
The canonical SMILES for methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol is CP.OCc1nc(-c2ccc(OC(F)(F)F)cc2)ns1.
What is the InChIKey of methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol?
The InChIKey is KSRVAUUWPGBYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S.CH5P/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)18-15-9;1-2/h1-4,16H,5H2;2H2,1H3.
What are the key properties of methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol?
methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol has a molecular weight of 324.26 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphane;[3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl]methanol is sourced from PubChem (CID 143044892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).