[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol

C9H15NO3S — CID 66890594

IUPAC[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol
SMILESCCOC(OCC)c1nc(CO)cs1
InChIInChI=1S/C9H15NO3S/c1-3-12-9(13-4-2)8-10-7(5-11)6-14-8/h6,9,11H,3-5H2,1-2H3
InChIKeySPHHAELMKXBHMI-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.71
Rot. Bonds6

About [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol

[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol (PubChem CID 66890594) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol
PubChem CID66890594
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol
SMILESCCOC(OCC)c1nc(CO)cs1
InChIInChI=1S/C9H15NO3S/c1-3-12-9(13-4-2)8-10-7(5-11)6-14-8/h6,9,11H,3-5H2,1-2H3
InChIKeySPHHAELMKXBHMI-UHFFFAOYSA-N
XLogP1.71
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.71
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

[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
CID 110006841
[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine
CID 116727879
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116727895
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 119895740
2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512034
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420

Frequently Asked Questions

What is the IUPAC name of [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol (CID 66890594) is [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol is CCOC(OCC)c1nc(CO)cs1.
What is the InChIKey of [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is SPHHAELMKXBHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-3-12-9(13-4-2)8-10-7(5-11)6-14-8/h6,9,11H,3-5H2,1-2H3.
What are the key properties of [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol?
[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 217.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 66890594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).