4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole

C9H15NO3S — CID 66056933

IUPAC4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole
SMILESCOCCc1nc(C(OC)OC)cs1
InChIInChI=1S/C9H15NO3S/c1-11-5-4-8-10-7(6-14-8)9(12-2)13-3/h6,9H,4-5H2,1-3H3
InChIKeyPATYOKILGSJMGP-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.62
Rot. Bonds6

About 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole (PubChem CID 66056933) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole
PubChem CID66056933
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole
SMILESCOCCc1nc(C(OC)OC)cs1
InChIInChI=1S/C9H15NO3S/c1-11-5-4-8-10-7(6-14-8)9(12-2)13-3/h6,9H,4-5H2,1-3H3
InChIKeyPATYOKILGSJMGP-UHFFFAOYSA-N
XLogP1.62
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
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-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole
CID 66056149
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
CID 102928798
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 102929672
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine
CID 102929666
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole
CID 66056335
4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
CID 66070178
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 103150135
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
2-(3-methoxypropyl)-1,3-thiazol-4-amine
CID 83108358
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole (CID 66056933) is 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole is COCCc1nc(C(OC)OC)cs1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole?
The InChIKey is PATYOKILGSJMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-11-5-4-8-10-7(6-14-8)9(12-2)13-3/h6,9H,4-5H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole has a molecular weight of 217.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole is sourced from PubChem (CID 66056933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).