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

C10H13NO2S — CID 104503586

IUPACethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate
SMILESCCOC(=O)C(C)=Cc1cnc(C)s1
InChIInChI=1S/C10H13NO2S/c1-4-13-10(12)7(2)5-9-6-11-8(3)14-9/h5-6H,4H2,1-3H3
InChIKeyHNCBJBXHAWQQOW-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.42
Rot. Bonds3

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

ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate (PubChem CID 104503586) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate
PubChem CID104503586
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate
SMILESCCOC(=O)C(C)=Cc1cnc(C)s1
InChIInChI=1S/C10H13NO2S/c1-4-13-10(12)7(2)5-9-6-11-8(3)14-9/h5-6H,4H2,1-3H3
InChIKeyHNCBJBXHAWQQOW-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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 ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate?
The IUPAC name of ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate (CID 104503586) is ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate is CCOC(=O)C(C)=Cc1cnc(C)s1.
What is the InChIKey of ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate?
The InChIKey is HNCBJBXHAWQQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-4-13-10(12)7(2)5-9-6-11-8(3)14-9/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate?
ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate has a molecular weight of 211.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate is sourced from PubChem (CID 104503586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).