[3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol

C14H12F5NOS — CID 90418883

IUPAC[3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol
SMILESCCc1ccc(-c2nsc(C(F)(F)C(F)(F)F)c2CO)cc1
InChIInChI=1S/C14H12F5NOS/c1-2-8-3-5-9(6-4-8)11-10(7-21)12(22-20-11)13(15,16)14(17,18)19/h3-6,21H,2,7H2,1H3
InChIKeyPYUBONNDVVSDAJ-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.52
Rot. Bonds4

About [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol

[3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol (PubChem CID 90418883) has the molecular formula C14H12F5NOS and a molecular weight of 337.31 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol
PubChem CID90418883
Molecular FormulaC14H12F5NOS
Molecular Weight337.31 g/mol
Exact Mass337.06
IUPAC Name[3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol
SMILESCCc1ccc(-c2nsc(C(F)(F)C(F)(F)F)c2CO)cc1
InChIInChI=1S/C14H12F5NOS/c1-2-8-3-5-9(6-4-8)11-10(7-21)12(22-20-11)13(15,16)14(17,18)19/h3-6,21H,2,7H2,1H3
InChIKeyPYUBONNDVVSDAJ-UHFFFAOYSA-N
XLogP4.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol (CID 90418883) is [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol is CCc1ccc(-c2nsc(C(F)(F)C(F)(F)F)c2CO)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is PYUBONNDVVSDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5NOS/c1-2-8-3-5-9(6-4-8)11-10(7-21)12(22-20-11)13(15,16)14(17,18)19/h3-6,21H,2,7H2,1H3.
What are the key properties of [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol?
[3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 337.31 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90418883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).