1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride

C16H21ClN4OS — CID 120905673

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCN(Cc2cnc(N)s2)C1)c1ccccc1.Cl
InChIInChI=1S/C16H20N4OS.ClH/c1-19(13-5-3-2-4-6-13)15(21)12-7-8-20(10-12)11-14-9-18-16(17)22-14;/h2-6,9,12H,7-8,10-11H2,1H3,(H2,17,18);1H
InChIKeyODYGTKOWENXQFL-UHFFFAOYSA-N
MW352.89 g/mol
LogP2.63
Rot. Bonds4

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120905673) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID120905673
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCN(Cc2cnc(N)s2)C1)c1ccccc1.Cl
InChIInChI=1S/C16H20N4OS.ClH/c1-19(13-5-3-2-4-6-13)15(21)12-7-8-20(10-12)11-14-9-18-16(17)22-14;/h2-6,9,12H,7-8,10-11H2,1H3,(H2,17,18);1H
InChIKeyODYGTKOWENXQFL-UHFFFAOYSA-N
XLogP2.63
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride (CID 120905673) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride is CN(C(=O)C1CCN(Cc2cnc(N)s2)C1)c1ccccc1.Cl.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ODYGTKOWENXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS.ClH/c1-19(13-5-3-2-4-6-13)15(21)12-7-8-20(10-12)11-14-9-18-16(17)22-14;/h2-6,9,12H,7-8,10-11H2,1H3,(H2,17,18);1H.
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120905673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).