ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate

C10H15N3O2S — CID 2893977

IUPACethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N=CN(C)C)nc1C
InChIInChI=1S/C10H15N3O2S/c1-5-15-9(14)8-7(2)12-10(16-8)11-6-13(3)4/h6H,5H2,1-4H3
InChIKeyZYELCRSYGFBHOA-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2893977) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2893977
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Nameethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N=CN(C)C)nc1C
InChIInChI=1S/C10H15N3O2S/c1-5-15-9(14)8-7(2)12-10(16-8)11-6-13(3)4/h6H,5H2,1-4H3
InChIKeyZYELCRSYGFBHOA-UHFFFAOYSA-N
XLogP1.85
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 4-methyl-2-[(E)-(4-oxo-1,3-selenazolidin-2-ylidene)amino]-1,3-thiazole-5-carboxylate
CID 162674389
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
ethyl 4-methyl-2-(3-oxoprop-1-enyl)-1,3-thiazole-5-carboxylate
CID 169459614
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-[2-(dimethylaminomethylideneamino)-1,3-thiazol-5-yl]-2-oxoacetate
CID 3262379
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 2-[[amino-(pent-4-ynoylamino)methylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 154044520
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-(3-hydroxyprop-1-ynyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 169485495
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 2893977) is ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N=CN(C)C)nc1C.
What is the InChIKey of ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZYELCRSYGFBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-5-15-9(14)8-7(2)12-10(16-8)11-6-13(3)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2893977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).