methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate

C9H14N2O2S — CID 115422814

IUPACmethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CN(C)C)sc1C
InChIInChI=1S/C9H14N2O2S/c1-6-8(9(12)13-4)10-7(14-6)5-11(2)3/h5H2,1-4H3
InChIKeyGZLPJZCNAJSOAW-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.30
Rot. Bonds3

About methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115422814) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115422814
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CN(C)C)sc1C
InChIInChI=1S/C9H14N2O2S/c1-6-8(9(12)13-4)10-7(14-6)5-11(2)3/h5H2,1-4H3
InChIKeyGZLPJZCNAJSOAW-UHFFFAOYSA-N
XLogP1.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate;oxalic acid
CID 166597361
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 67232095
methyl 2-(tert-butylsulfanylmethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422857
methyl 2-[(2-methoxyethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422071
methyl 2-[2-[(2-chloroacetyl)amino]ethyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 167910752
methyl 2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306531
methyl 2-[(3,4-dichlorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422892
methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423925
methyl 2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306535
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 115424580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate (CID 115422814) is methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(CN(C)C)sc1C.
What is the InChIKey of methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is GZLPJZCNAJSOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-8(9(12)13-4)10-7(14-6)5-11(2)3/h5H2,1-4H3.
What are the key properties of methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).