1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone

C10H13NO2S — CID 126498070

IUPAC1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone
SMILESCOC/C=C/c1sc(C)nc1C(C)=O
InChIInChI=1S/C10H13NO2S/c1-7(12)10-9(5-4-6-13-3)14-8(2)11-10/h4-5H,6H2,1-3H3/b5-4+
InChIKeyZQLCIAZKUMPPDM-SNAWJCMRSA-N
MW211.29 g/mol
LogP2.31
Rot. Bonds4

About 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone

1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone (PubChem CID 126498070) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone
PubChem CID126498070
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone
SMILESCOC/C=C/c1sc(C)nc1C(C)=O
InChIInChI=1S/C10H13NO2S/c1-7(12)10-9(5-4-6-13-3)14-8(2)11-10/h4-5H,6H2,1-3H3/b5-4+
InChIKeyZQLCIAZKUMPPDM-SNAWJCMRSA-N
XLogP2.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone 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

1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498011
1-[5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-one
CID 145236692
2-pentyl-5H-1,3-benzothiazol-4-one
CID 70492419
2-methoxy-5H-1,3-benzothiazol-4-one
CID 70586905
5-Hepta-1,3,5-trien-3-yl-2-methyl-1,3-thiazole-4-carbaldehyde
CID 91500424
methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 134461694
Methyl 5-(3-methoxyprop-1-enyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 135324418
sodium (E)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-3-oxoprop-1-en-1-olate
CID 63751079
(E)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-3-hydroxyprop-2-en-1-one
CID 63751080
1-(Dimethyl-1,3-thiazol-4-yl)-3-ethoxyprop-2-en-1-one
CID 63751411
Sodium 3-(2,5-dimethyl-1,3-thiazol-4-yl)-3-oxoprop-1-en-1-olate
CID 76951998
1-(2,5-Dimethyl-1,3-thiazol-4-yl)-3-hydroxyprop-2-en-1-one
CID 76951999

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone (CID 126498070) is 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone is COC/C=C/c1sc(C)nc1C(C)=O.
What is the InChIKey of 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone?
The InChIKey is ZQLCIAZKUMPPDM-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(12)10-9(5-4-6-13-3)14-8(2)11-10/h4-5H,6H2,1-3H3/b5-4+.
What are the key properties of 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone?
1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).