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

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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).