ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole

C11H17NOS — CID 178049225

IUPACethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole
SMILESC=Cc1sc(C)nc1C(=C)OC.CC
InChIInChI=1S/C9H11NOS.C2H6/c1-5-8-9(6(2)11-4)10-7(3)12-8;1-2/h5H,1-2H2,3-4H3;1-2H3
InChIKeyMEKCVDRILKLEFV-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.74
Rot. Bonds3

About ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole

ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole (PubChem CID 178049225) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole
PubChem CID178049225
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Nameethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole
SMILESC=Cc1sc(C)nc1C(=C)OC.CC
InChIInChI=1S/C9H11NOS.C2H6/c1-5-8-9(6(2)11-4)10-7(3)12-8;1-2/h5H,1-2H2,3-4H3;1-2H3
InChIKeyMEKCVDRILKLEFV-UHFFFAOYSA-N
XLogP3.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;5-ethenyl-4-(1-methoxyethenyl)-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

4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole
CID 123538949
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane
CID 143165209
4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine
CID 145443882
2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
CID 143115649
ethane;5-ethenyl-4-methyl-1,3-thiazol-2-amine
CID 177047215
2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane
CID 142103323
ethyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CID 59291239
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 126482957
methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 110465551
methyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methylbutanoate
CID 116887286

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole?
The IUPAC name of ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole (CID 178049225) is ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole is C=Cc1sc(C)nc1C(=C)OC.CC.
What is the InChIKey of ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole?
The InChIKey is MEKCVDRILKLEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS.C2H6/c1-5-8-9(6(2)11-4)10-7(3)12-8;1-2/h5H,1-2H2,3-4H3;1-2H3.
What are the key properties of ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole?
ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-(1-methoxyethenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 178049225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).