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

C9H10FNO2S — CID 15460609

IUPACethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1csc(C)n1
InChIInChI=1S/C9H10FNO2S/c1-3-13-9(12)8(10)4-7-5-14-6(2)11-7/h4-5H,3H2,1-2H3/b8-4-
InChIKeyGPPKCMDUCXNVOT-YWEYNIOJSA-N
MW215.25 g/mol
LogP2.33
Rot. Bonds3

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

ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate (PubChem CID 15460609) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
PubChem CID15460609
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Nameethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1csc(C)n1
InChIInChI=1S/C9H10FNO2S/c1-3-13-9(12)8(10)4-7-5-14-6(2)11-7/h4-5H,3H2,1-2H3/b8-4-
InChIKeyGPPKCMDUCXNVOT-YWEYNIOJSA-N
XLogP2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.33
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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Related Compounds

Methyl (E)-3-(2-ethynylthiazol-4-yl)acrylate
CID 168271914
methyl (2E,4E)-5-(2-ethynyl-1,3-thiazol-4-yl)penta-2,4-dienoate
CID 168278349
(2E)-3-(2-Methyl-1,3-thiazol-4-yl)prop-2-enoic acid
CID 16227549
tert-butyl (2E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 165525154
tert-butyl (2E)-3-(1,3-thiazol-4-yl)prop-2-enoate
CID 165785348
[(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] acetate
CID 10959783
(Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 15460611
(E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 22339183
2-Fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 54124751
Ethyl 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57191072
methyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 59086204
(E)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]prop-2-enoic acid
CID 69080428

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate (CID 15460609) is ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate is CCOC(=O)/C(F)=C/c1csc(C)n1.
What is the InChIKey of ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
The InChIKey is GPPKCMDUCXNVOT-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-3-13-9(12)8(10)4-7-5-14-6(2)11-7/h4-5H,3H2,1-2H3/b8-4-.
What are the key properties of ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate?
ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate is sourced from PubChem (CID 15460609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).