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

C12H19N3O2S — CID 80571000

IUPACmethyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCC2CCCCN2C)s1
InChIInChI=1S/C12H19N3O2S/c1-15-6-4-3-5-9(15)7-13-12-14-8-10(18-12)11(16)17-2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyYBMIVNYJSYFTPL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.83
Rot. Bonds4

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

methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 80571000) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
PubChem CID80571000
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCC2CCCCN2C)s1
InChIInChI=1S/C12H19N3O2S/c1-15-6-4-3-5-9(15)7-13-12-14-8-10(18-12)11(16)17-2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyYBMIVNYJSYFTPL-UHFFFAOYSA-N
XLogP1.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571019
methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate
CID 80572769
methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80571068
methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate
CID 66285860
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 80571176
ethyl 5-methyl-2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526634
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
2-(cyclopentylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641579
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
CID 80571719
4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 65169756
methyl 2-[(4-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80570930

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate (CID 80571000) is methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NCC2CCCCN2C)s1.
What is the InChIKey of methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is YBMIVNYJSYFTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15-6-4-3-5-9(15)7-13-12-14-8-10(18-12)11(16)17-2/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate?
methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).