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

C10H16N4OS — CID 79772421

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C10H16N4OS/c1-12-9(15)8-3-2-4-14(8)6-7-5-13-10(11)16-7/h5,8H,2-4,6H2,1H3,(H2,11,13)(H,12,15)
InChIKeyPGXICDAEAAPCJV-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.44
Rot. Bonds3

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 79772421) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID79772421
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C10H16N4OS/c1-12-9(15)8-3-2-4-14(8)6-7-5-13-10(11)16-7/h5,8H,2-4,6H2,1H3,(H2,11,13)(H,12,15)
InChIKeyPGXICDAEAAPCJV-UHFFFAOYSA-N
XLogP0.44
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
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-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 79772421) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1Cc1cnc(N)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is PGXICDAEAAPCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-12-9(15)8-3-2-4-14(8)6-7-5-13-10(11)16-7/h5,8H,2-4,6H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 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-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79772421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).