ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate

C12H18N2O3S — CID 113420093

IUPACethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1sc(N(C)C)nc1OC
InChIInChI=1S/C12H18N2O3S/c1-6-17-11(15)8(2)7-9-10(16-5)13-12(18-9)14(3)4/h7H,6H2,1-5H3
InChIKeyKFGNCVQCKOUSEC-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.18
Rot. Bonds5

About ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate

ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate (PubChem CID 113420093) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate
PubChem CID113420093
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1sc(N(C)C)nc1OC
InChIInChI=1S/C12H18N2O3S/c1-6-17-11(15)8(2)7-9-10(16-5)13-12(18-9)14(3)4/h7H,6H2,1-5H3
InChIKeyKFGNCVQCKOUSEC-UHFFFAOYSA-N
XLogP2.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2,4-dichloro-1,3-thiazol-5-yl)-2-methylprop-2-enoate
CID 104503401
ethyl 2-methyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoate
CID 104503690
ethyl 2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate
CID 104503586
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
CID 43665038
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl 2-oxo(213C)propanoate
CID 71309469
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
CID 60925601
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 67318536
ethyl (E)-3-(2-chloro-3,4,5,6-tetramethoxyphenyl)-2-methylprop-2-enoate
CID 46179966
CID 159689459
CID 159689459
2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 79019725
ethyl 2-(2,6-dimethoxy-3,5-dimethyl-4-pyridinyl)-2-oxoacetate
CID 142050209

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate (CID 113420093) is ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate is CCOC(=O)C(C)=Cc1sc(N(C)C)nc1OC.
What is the InChIKey of ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate?
The InChIKey is KFGNCVQCKOUSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-6-17-11(15)8(2)7-9-10(16-5)13-12(18-9)14(3)4/h7H,6H2,1-5H3.
What are the key properties of ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate?
ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate has a molecular weight of 270.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]-2-methylprop-2-enoate is sourced from PubChem (CID 113420093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).