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

C11H16N2O2S — CID 103243299

IUPACethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate
SMILESC=C(CNCc1cnc(C)s1)C(=O)OCC
InChIInChI=1S/C11H16N2O2S/c1-4-15-11(14)8(2)5-12-6-10-7-13-9(3)16-10/h7,12H,2,4-6H2,1,3H3
InChIKeyKEFOXPXFOFHDMZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.66
Rot. Bonds6

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

ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate (PubChem CID 103243299) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate
PubChem CID103243299
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate
SMILESC=C(CNCc1cnc(C)s1)C(=O)OCC
InChIInChI=1S/C11H16N2O2S/c1-4-15-11(14)8(2)5-12-6-10-7-13-9(3)16-10/h7,12H,2,4-6H2,1,3H3
InChIKeyKEFOXPXFOFHDMZ-UHFFFAOYSA-N
XLogP1.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
ethyl 2-[[(4-ethylphenyl)methylamino]methyl]prop-2-enoate
CID 106900203
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103243298
N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61281225
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine
CID 106451759
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
N-(2-methylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282011
N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282582
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
2,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79623536
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate (CID 103243299) is ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate is C=C(CNCc1cnc(C)s1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate?
The InChIKey is KEFOXPXFOFHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-4-15-11(14)8(2)5-12-6-10-7-13-9(3)16-10/h7,12H,2,4-6H2,1,3H3.
What are the key properties of ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate?
ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate has a molecular weight of 240.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103243299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).