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

C11H19NO3S — CID 116705379

IUPAC4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
SMILESCCOC(CC)c1nc(C(OC)OC)cs1
InChIInChI=1S/C11H19NO3S/c1-5-9(15-6-2)10-12-8(7-16-10)11(13-3)14-4/h7,9,11H,5-6H2,1-4H3
InChIKeyHMLPYXSPVRDZBC-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.92
Rot. Bonds7

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

4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole (PubChem CID 116705379) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
PubChem CID116705379
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
SMILESCCOC(CC)c1nc(C(OC)OC)cs1
InChIInChI=1S/C11H19NO3S/c1-5-9(15-6-2)10-12-8(7-16-10)11(13-3)14-4/h7,9,11H,5-6H2,1-4H3
InChIKeyHMLPYXSPVRDZBC-UHFFFAOYSA-N
XLogP2.92
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.92
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-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727809
4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole
CID 116734676
4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734447
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline
CID 116727349
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole
CID 66056335
1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
CID 64544933
2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512034
4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole
CID 66056149
4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole
CID 66056933

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole (CID 116705379) is 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole is CCOC(CC)c1nc(C(OC)OC)cs1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole?
The InChIKey is HMLPYXSPVRDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-5-9(15-6-2)10-12-8(7-16-10)11(13-3)14-4/h7,9,11H,5-6H2,1-4H3.
What are the key properties of 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole has a molecular weight of 245.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole is sourced from PubChem (CID 116705379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).