[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol

C13H16N2O2S — CID 79799349

IUPAC[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
SMILESCC(C)c1nc(COc2ccc(CO)nc2)cs1
InChIInChI=1S/C13H16N2O2S/c1-9(2)13-15-11(8-18-13)7-17-12-4-3-10(6-16)14-5-12/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyXPMIQIMARZTCGH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.73
Rot. Bonds5

About [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol

[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol (PubChem CID 79799349) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
PubChem CID79799349
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
SMILESCC(C)c1nc(COc2ccc(CO)nc2)cs1
InChIInChI=1S/C13H16N2O2S/c1-9(2)13-15-11(8-18-13)7-17-12-4-3-10(6-16)14-5-12/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyXPMIQIMARZTCGH-UHFFFAOYSA-N
XLogP2.73
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79793804
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 112612377
[3,5-difluoro-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 79888499
[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487516
7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one
CID 38866745
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500

Frequently Asked Questions

What is the IUPAC name of [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol?
The IUPAC name of [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol (CID 79799349) is [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol?
The canonical SMILES for [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol is CC(C)c1nc(COc2ccc(CO)nc2)cs1.
What is the InChIKey of [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol?
The InChIKey is XPMIQIMARZTCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)13-15-11(8-18-13)7-17-12-4-3-10(6-16)14-5-12/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol?
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol has a molecular weight of 264.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 79799349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).