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

C10H15N3O2S — CID 80571176

IUPACmethyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC2CCN(C)C2)s1
InChIInChI=1S/C10H15N3O2S/c1-13-4-3-7(6-13)12-10-11-5-8(16-10)9(14)15-2/h5,7H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyHJQMNCBEUYZJIA-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.05
Rot. Bonds3

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

methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80571176) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80571176
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC2CCN(C)C2)s1
InChIInChI=1S/C10H15N3O2S/c1-13-4-3-7(6-13)12-10-11-5-8(16-10)9(14)15-2/h5,7H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyHJQMNCBEUYZJIA-UHFFFAOYSA-N
XLogP1.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate (CID 80571176) is methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC2CCN(C)C2)s1.
What is the InChIKey of methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is HJQMNCBEUYZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13-4-3-7(6-13)12-10-11-5-8(16-10)9(14)15-2/h5,7H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).