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

C13H21N3O2S — CID 105420744

IUPACmethyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-15(2)13(6-5-7-13)9-16(3)12-14-10(8-19-12)11(17)18-4/h8H,5-7,9H2,1-4H3
InChIKeyGYNXKICDXTWYBO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.85
Rot. Bonds5

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

methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate (PubChem CID 105420744) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
PubChem CID105420744
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-15(2)13(6-5-7-13)9-16(3)12-14-10(8-19-12)11(17)18-4/h8H,5-7,9H2,1-4H3
InChIKeyGYNXKICDXTWYBO-UHFFFAOYSA-N
XLogP1.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
CID 115424126
methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423463
methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 70845802
4-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 105418585
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423885
methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307307
methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307008
methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103384743
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
2-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 105417476

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate (CID 105420744) is methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is GYNXKICDXTWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-15(2)13(6-5-7-13)9-16(3)12-14-10(8-19-12)11(17)18-4/h8H,5-7,9H2,1-4H3.
What are the key properties of methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate?
methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 105420744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).