methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate

C10H14N2O2S — CID 115423691

IUPACmethyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCCC2C)n1
InChIInChI=1S/C10H14N2O2S/c1-7-4-3-5-12(7)10-11-8(6-15-10)9(13)14-2/h6-7H,3-5H2,1-2H3
InChIKeyBJNHYSQXLJDZIG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.92
Rot. Bonds2

About methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate

methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115423691) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID115423691
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCCC2C)n1
InChIInChI=1S/C10H14N2O2S/c1-7-4-3-5-12(7)10-11-8(6-15-10)9(13)14-2/h6-7H,3-5H2,1-2H3
InChIKeyBJNHYSQXLJDZIG-UHFFFAOYSA-N
XLogP1.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-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-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423688
methyl 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1,3-thiazole-4-carboxylate
CID 113306992
methyl 2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 113307122
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 104961725
ethyl 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3-thiazole-4-carboxylate
CID 102729075
methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 115423633
4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole
CID 79400292
ethyl 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazole-4-carboxylate
CID 80569414
methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
CID 115424343
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 113306904
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate (CID 115423691) is methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N2CCCC2C)n1.
What is the InChIKey of methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is BJNHYSQXLJDZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-4-3-5-12(7)10-11-8(6-15-10)9(13)14-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).