1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol

C9H15NO3S — CID 112642005

IUPAC1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCOC(OC)C(C)(O)Cc1cncs1
InChIInChI=1S/C9H15NO3S/c1-9(11,8(12-2)13-3)4-7-5-10-6-14-7/h5-6,8,11H,4H2,1-3H3
InChIKeyUYRASLBTKHPIRN-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.06
Rot. Bonds5

About 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol

1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 112642005) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID112642005
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCOC(OC)C(C)(O)Cc1cncs1
InChIInChI=1S/C9H15NO3S/c1-9(11,8(12-2)13-3)4-7-5-10-6-14-7/h5-6,8,11H,4H2,1-3H3
InChIKeyUYRASLBTKHPIRN-UHFFFAOYSA-N
XLogP1.06
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
CID 112642616
1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112645209
2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112641801
5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
CID 59305650
2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
CID 112645394
4-[2-hydroxy-1-(1,3-thiazol-5-yl)propan-2-yl]benzonitrile
CID 112642079
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-5-yl)propan-2-ol
CID 112641794
4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-5-yl)pentan-1-amine
CID 103392640
3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116708185
ethane;5-(methoxymethyl)-1,3-thiazole
CID 144576341
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol (CID 112642005) is 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol is COC(OC)C(C)(O)Cc1cncs1.
What is the InChIKey of 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is UYRASLBTKHPIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-9(11,8(12-2)13-3)4-7-5-10-6-14-7/h5-6,8,11H,4H2,1-3H3.
What are the key properties of 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol?
1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 217.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 112642005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).