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

C13H23N3O2S — CID 115423925

IUPACmethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(CN(C)C)C(C)C)sc1C
InChIInChI=1S/C13H23N3O2S/c1-8(2)10(7-16(4)5)14-13-15-11(9(3)19-13)12(17)18-6/h8,10H,7H2,1-6H3,(H,14,15)
InChIKeyORMCWWKMWVUWJO-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.24
Rot. Bonds6

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

methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115423925) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115423925
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Namemethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(CN(C)C)C(C)C)sc1C
InChIInChI=1S/C13H23N3O2S/c1-8(2)10(7-16(4)5)14-13-15-11(9(3)19-13)12(17)18-6/h8,10H,7H2,1-6H3,(H,14,15)
InChIKeyORMCWWKMWVUWJO-UHFFFAOYSA-N
XLogP2.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

2-[(1-methoxy-3-methylbutan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424684
methyl 5-methyl-2-(5-methylhexylamino)-1,3-thiazole-4-carboxylate
CID 113307344
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423867
methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285245
methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422814
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113307081
ethyl 2-[1-(diethylamino)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526669
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423794
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 115423925) is methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(CN(C)C)C(C)C)sc1C.
What is the InChIKey of methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is ORMCWWKMWVUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-8(2)10(7-16(4)5)14-13-15-11(9(3)19-13)12(17)18-6/h8,10H,7H2,1-6H3,(H,14,15).
What are the key properties of methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 285.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).