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

C13H22N2O2S — CID 115424090

IUPACmethyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(CC(C)C)C(C)C)sc1C
InChIInChI=1S/C13H22N2O2S/c1-8(2)7-15(9(3)4)13-14-11(10(5)18-13)12(16)17-6/h8-9H,7H2,1-6H3
InChIKeyOMXHYICALZFQCI-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.11
Rot. Bonds5

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

methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 115424090) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID115424090
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Namemethyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(CC(C)C)C(C)C)sc1C
InChIInChI=1S/C13H22N2O2S/c1-8(2)7-15(9(3)4)13-14-11(10(5)18-13)12(16)17-6/h8-9H,7H2,1-6H3
InChIKeyOMXHYICALZFQCI-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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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate (CID 115424090) is methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(CC(C)C)C(C)C)sc1C.
What is the InChIKey of methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is OMXHYICALZFQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-8(2)7-15(9(3)4)13-14-11(10(5)18-13)12(16)17-6/h8-9H,7H2,1-6H3.
What are the key properties of methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-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 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).