methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate

C12H14N2O2S2 — CID 113306874

IUPACmethyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)C(C)c2cccs2)n1
InChIInChI=1S/C12H14N2O2S2/c1-8(10-5-4-6-17-10)14(2)12-13-9(7-18-12)11(15)16-3/h4-8H,1-3H3
InChIKeyVZESQZPJRKZWEU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate

methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 113306874) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID113306874
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Namemethyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)C(C)c2cccs2)n1
InChIInChI=1S/C12H14N2O2S2/c1-8(10-5-4-6-17-10)14(2)12-13-9(7-18-12)11(15)16-3/h4-8H,1-3H3
InChIKeyVZESQZPJRKZWEU-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423463
N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 64542538
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
methyl 2-[butan-2-yl(ethyl)amino]-1,3-thiazole-4-carboxylate
CID 115423481
methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate
CID 103192406
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 70845802
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
methyl 5-amino-3-chloro-2-[methyl(1-thiophen-2-ylethyl)amino]benzoate
CID 107195224
6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54981127
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423885
methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 113307165

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate (CID 113306874) is methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)C(C)c2cccs2)n1.
What is the InChIKey of methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is VZESQZPJRKZWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-8(10-5-4-6-17-10)14(2)12-13-9(7-18-12)11(15)16-3/h4-8H,1-3H3.
What are the key properties of methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate?
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 282.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).