methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate

C10H13NO3S — CID 134461694

IUPACmethyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC/C=C/c1sc(C)nc1C(=O)OC
InChIInChI=1S/C10H13NO3S/c1-7-11-9(10(12)14-3)8(15-7)5-4-6-13-2/h4-5H,6H2,1-3H3/b5-4+
InChIKeyHXFILDOLZAQPSL-SNAWJCMRSA-N
MW227.28 g/mol
LogP1.90
Rot. Bonds4

About methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate

methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 134461694) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID134461694
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namemethyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC/C=C/c1sc(C)nc1C(=O)OC
InChIInChI=1S/C10H13NO3S/c1-7-11-9(10(12)14-3)8(15-7)5-4-6-13-2/h4-5H,6H2,1-3H3/b5-4+
InChIKeyHXFILDOLZAQPSL-SNAWJCMRSA-N
XLogP1.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-vinylthiazole-4-carboxylate
CID 91753411
Methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 58018049
Tert-butyl 2-(6-fluoro-2,3-dihydropyridin-4-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate
CID 123841497
5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 126482540
ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 134461635
Ethyl 5-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 135324032
Ethyl 4-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 135324617
ethyl 4-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 140768050
Ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 170159932
5-(3-Methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 173665335
ethyl 2-(1,1-difluoroethyl)-4-[(E)-prop-1-enyl]-1,3-thiazole-5-carboxylate
CID 178546841
Ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 15093941

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate (CID 134461694) is methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate is COC/C=C/c1sc(C)nc1C(=O)OC.
What is the InChIKey of methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is HXFILDOLZAQPSL-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7-11-9(10(12)14-3)8(15-7)5-4-6-13-2/h4-5H,6H2,1-3H3/b5-4+.
What are the key properties of methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 134461694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).