2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol

C15H20N2O2S — CID 105066380

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
SMILESCOc1cnccc1C(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)13-9-20-14(17-13)7-11(18)10-5-6-16-8-12(10)19-4/h5-6,8-9,11,18H,7H2,1-4H3
InChIKeyFFLGITZJDVDBLR-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol (PubChem CID 105066380) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
PubChem CID105066380
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
SMILESCOc1cnccc1C(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)13-9-20-14(17-13)7-11(18)10-5-6-16-8-12(10)19-4/h5-6,8-9,11,18H,7H2,1-4H3
InChIKeyFFLGITZJDVDBLR-UHFFFAOYSA-N
XLogP3.12
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065878
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115822987
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129067
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105169573
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
CID 79820321
2-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066190
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-difluorophenyl)ethanol
CID 79820006
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 79820476
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79819805
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol
CID 105066324

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol (CID 105066380) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol is COc1cnccc1C(O)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol?
The InChIKey is FFLGITZJDVDBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(2,3)13-9-20-14(17-13)7-11(18)10-5-6-16-8-12(10)19-4/h5-6,8-9,11,18H,7H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol has a molecular weight of 292.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol is sourced from PubChem (CID 105066380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).