methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate

C10H13NO2S — CID 174402791

IUPACmethyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate
SMILESCCc1nc(C)c(C=CC(=O)OC)s1
InChIInChI=1S/C10H13NO2S/c1-4-9-11-7(2)8(14-9)5-6-10(12)13-3/h5-6H,4H2,1-3H3
InChIKeyCSBMWYADTPOALS-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.20
Rot. Bonds3

About methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate

methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate (PubChem CID 174402791) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate
PubChem CID174402791
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate
SMILESCCc1nc(C)c(C=CC(=O)OC)s1
InChIInChI=1S/C10H13NO2S/c1-4-9-11-7(2)8(14-9)5-6-10(12)13-3/h5-6H,4H2,1-3H3
InChIKeyCSBMWYADTPOALS-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate?
The IUPAC name of methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate (CID 174402791) is methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate is CCc1nc(C)c(C=CC(=O)OC)s1.
What is the InChIKey of methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate?
The InChIKey is CSBMWYADTPOALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-4-9-11-7(2)8(14-9)5-6-10(12)13-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate?
methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate has a molecular weight of 211.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)prop-2-enoate is sourced from PubChem (CID 174402791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).