5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole

C8H13NO2S — CID 138987761

IUPAC5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole
SMILESCOC(Cc1cnc(C)s1)OC
InChIInChI=1S/C8H13NO2S/c1-6-9-5-7(12-6)4-8(10-2)11-3/h5,8H,4H2,1-3H3
InChIKeySUUMPMRRWQEWNB-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.61
Rot. Bonds4

About 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole

5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole (PubChem CID 138987761) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole
PubChem CID138987761
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole
SMILESCOC(Cc1cnc(C)s1)OC
InChIInChI=1S/C8H13NO2S/c1-6-9-5-7(12-6)4-8(10-2)11-3/h5,8H,4H2,1-3H3
InChIKeySUUMPMRRWQEWNB-UHFFFAOYSA-N
XLogP1.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methyl-thiazol-5-yl)-ethanol
CID 529638
Ethyl (2-propyl-1,3-thiazol-5-yl)acetate
CID 54320013
5-(2-Methoxyethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 66911472
2-(2-Propyl-1,3-thiazol-5-yl)ethanol
CID 20369851
Ethyl 2-(2-methylthiazol-5-yl)acetate
CID 20388951
2-(2-Methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate
CID 20795947
Methyl 2-(2-methylthiazol-5-yl)acetate
CID 28811858
2-(3-Ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol
CID 54119608
2-(1,3-Thiazol-5-yl)ethyl acetate
CID 57825872
5-(2-Ethoxyethyl)-1,3-thiazole
CID 67275426
5-(2-Methoxyethyl)-2-methyl-1,3-thiazole
CID 67682440
Acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol
CID 71295057

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole (CID 138987761) is 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole is COC(Cc1cnc(C)s1)OC.
What is the InChIKey of 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole?
The InChIKey is SUUMPMRRWQEWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6-9-5-7(12-6)4-8(10-2)11-3/h5,8H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole?
5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole has a molecular weight of 187.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 138987761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).