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

C13H21N3O2S — CID 115423333

IUPACmethyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)C2CCN(C)CC2)sc1C
InChIInChI=1S/C13H21N3O2S/c1-9-11(12(17)18-4)14-13(19-9)16(3)10-5-7-15(2)8-6-10/h10H,5-8H2,1-4H3
InChIKeyRKNMNDWYPAYNJU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.77
Rot. Bonds3

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

methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 115423333) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID115423333
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Namemethyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)C2CCN(C)CC2)sc1C
InChIInChI=1S/C13H21N3O2S/c1-9-11(12(17)18-4)14-13(19-9)16(3)10-5-7-15(2)8-6-10/h10H,5-8H2,1-4H3
InChIKeyRKNMNDWYPAYNJU-UHFFFAOYSA-N
XLogP1.77
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate (CID 115423333) is methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(C)C2CCN(C)CC2)sc1C.
What is the InChIKey of methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is RKNMNDWYPAYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-11(12(17)18-4)14-13(19-9)16(3)10-5-7-15(2)8-6-10/h10H,5-8H2,1-4H3.
What are the key properties of methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).