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

C13H22N2O2S — CID 80570281

IUPACmethyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C(C)C(C)(C)C)nc1C
InChIInChI=1S/C13H22N2O2S/c1-8-10(11(16)17-7)18-12(14-8)15(6)9(2)13(3,4)5/h9H,1-7H3
InChIKeyISCGFQHRVRWJAN-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.11
Rot. Bonds3

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

methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80570281) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80570281
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C(C)C(C)(C)C)nc1C
InChIInChI=1S/C13H22N2O2S/c1-8-10(11(16)17-7)18-12(14-8)15(6)9(2)13(3,4)5/h9H,1-7H3
InChIKeyISCGFQHRVRWJAN-UHFFFAOYSA-N
XLogP3.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 80570281) is methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)C(C)C(C)(C)C)nc1C.
What is the InChIKey of methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ISCGFQHRVRWJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-8-10(11(16)17-7)18-12(14-8)15(6)9(2)13(3,4)5/h9H,1-7H3.
What are the key properties of methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 270.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).