5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol

C10H17NO2S — CID 105115330

IUPAC5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
SMILESCOCC(C)CC(O)Cc1nccs1
InChIInChI=1S/C10H17NO2S/c1-8(7-13-2)5-9(12)6-10-11-3-4-14-10/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyUWTGLCUUCXZTDN-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.72
Rot. Bonds6

About 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol

5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 105115330) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
PubChem CID105115330
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
SMILESCOCC(C)CC(O)Cc1nccs1
InChIInChI=1S/C10H17NO2S/c1-8(7-13-2)5-9(12)6-10-11-3-4-14-10/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyUWTGLCUUCXZTDN-UHFFFAOYSA-N
XLogP1.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105110995
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245
(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 59948549
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968
4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79823797

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol (CID 105115330) is 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol is COCC(C)CC(O)Cc1nccs1.
What is the InChIKey of 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is UWTGLCUUCXZTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-8(7-13-2)5-9(12)6-10-11-3-4-14-10/h3-4,8-9,12H,5-7H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol?
5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 105115330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).