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

C13H22N2O2S — CID 80569705

IUPACmethyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C(C)CC(C)C)nc1C
InChIInChI=1S/C13H22N2O2S/c1-8(2)7-9(3)15(5)13-14-10(4)11(18-13)12(16)17-6/h8-9H,7H2,1-6H3
InChIKeyXMDFPFLKOPUOMW-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.11
Rot. Bonds5

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

methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80569705) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80569705
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Namemethyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C(C)CC(C)C)nc1C
InChIInChI=1S/C13H22N2O2S/c1-8(2)7-9(3)15(5)13-14-10(4)11(18-13)12(16)17-6/h8-9H,7H2,1-6H3
InChIKeyXMDFPFLKOPUOMW-UHFFFAOYSA-N
XLogP3.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570281
methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 80570582
methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570466
ethyl 5-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 116526729
4-chloro-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80688200
ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate
CID 56793531
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 60843891
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
methyl 2-(1-methoxybutyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116705463
methyl 2-[(3-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570354

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate (CID 80569705) is methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)C(C)CC(C)C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is XMDFPFLKOPUOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-8(2)7-9(3)15(5)13-14-10(4)11(18-13)12(16)17-6/h8-9H,7H2,1-6H3.
What are the key properties of methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 270.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).