methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate

C10H12N2O3S — CID 174410382

IUPACmethyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)C=Cc1cscn1
InChIInChI=1S/C10H12N2O3S/c1-12(5-10(14)15-2)9(13)4-3-8-6-16-7-11-8/h3-4,6-7H,5H2,1-2H3
InChIKeyIQZKGFCOQKOWKT-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.79
Rot. Bonds4

About methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate

methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate (PubChem CID 174410382) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate
PubChem CID174410382
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Namemethyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)C=Cc1cscn1
InChIInChI=1S/C10H12N2O3S/c1-12(5-10(14)15-2)9(13)4-3-8-6-16-7-11-8/h3-4,6-7H,5H2,1-2H3
InChIKeyIQZKGFCOQKOWKT-UHFFFAOYSA-N
XLogP0.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-2-oxoethyl) (E)-3-(1,3-thiazol-4-yl)prop-2-enoate
CID 75418745
methyl 2-[methyl-[(E)-3-thiophen-3-ylprop-2-enoyl]amino]acetate
CID 75413211
(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 131247757
N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 91942836
methyl 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-methylamino]acetate
CID 43407643
methyl 3-[methyl-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]propanoate
CID 54997523
(E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95337196
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 91942831
(2Z,4E)-3-methyl-5-(1,3-thiazol-4-yl)penta-2,4-dienoic acid
CID 164646142
methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methylamino]acetate
CID 43407445
(2S)-N,N-dimethyl-1-[3-[[(Z)-3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 98481402
(2R)-N,N-dimethyl-1-[3-[[(E)-3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95330690

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate (CID 174410382) is methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate is COC(=O)CN(C)C(=O)C=Cc1cscn1.
What is the InChIKey of methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate?
The InChIKey is IQZKGFCOQKOWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-12(5-10(14)15-2)9(13)4-3-8-6-16-7-11-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate?
methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate has a molecular weight of 240.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate is sourced from PubChem (CID 174410382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).