[5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol

C15H18FNOS — CID 170709310

IUPAC[5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
SMILESCCc1cccc(CC(C)c2cc(CO)ns2)c1F
InChIInChI=1S/C15H18FNOS/c1-3-11-5-4-6-12(15(11)16)7-10(2)14-8-13(9-18)17-19-14/h4-6,8,10,18H,3,7,9H2,1-2H3
InChIKeyPDGICPODTPMIEK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.68
Rot. Bonds5

About [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol

[5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol (PubChem CID 170709310) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
PubChem CID170709310
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name[5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
SMILESCCc1cccc(CC(C)c2cc(CO)ns2)c1F
InChIInChI=1S/C15H18FNOS/c1-3-11-5-4-6-12(15(11)16)7-10(2)14-8-13(9-18)17-19-14/h4-6,8,10,18H,3,7,9H2,1-2H3
InChIKeyPDGICPODTPMIEK-UHFFFAOYSA-N
XLogP3.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
[3-(4-Trifluoromethyl-phenyl)-isothiazol-5-yl]-methanol
CID 59212200
2-(3-(4-Fluorophenyl)isothiazol-5-yl)propan-2-ol
CID 68328241
[5-(2-Fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
CID 90418044
[5-(2,4-Dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 90418352
[3-Ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol
CID 90418726
(2-Fluoro-5-methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 143918348
1-[4-[5-(Trifluoromethyl)-1,2-thiazol-3-yl]phenyl]ethanol
CID 152078970
[5-[1-(2-Fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
CID 170709322
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
Isothiazolylphenylmethanol
CID 129752610
(2-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094109

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol?
The IUPAC name of [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol (CID 170709310) is [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol.
What is the SMILES notation for [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol?
The canonical SMILES for [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol is CCc1cccc(CC(C)c2cc(CO)ns2)c1F.
What is the InChIKey of [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol?
The InChIKey is PDGICPODTPMIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-3-11-5-4-6-12(15(11)16)7-10(2)14-8-13(9-18)17-19-14/h4-6,8,10,18H,3,7,9H2,1-2H3.
What are the key properties of [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol?
[5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol has a molecular weight of 279.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3-ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 170709310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).