2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide

C12H19N3OS — CID 79384523

IUPAC2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CCNC1C)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-3-10(12-14-6-7-17-12)15-11(16)9-4-5-13-8(9)2/h6-10,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyUGVYYFMWKWDOAM-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.71
Rot. Bonds4

About 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide

2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 79384523) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID79384523
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CCNC1C)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-3-10(12-14-6-7-17-12)15-11(16)9-4-5-13-8(9)2/h6-10,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyUGVYYFMWKWDOAM-UHFFFAOYSA-N
XLogP1.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide (CID 79384523) is 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide is CCC(NC(=O)C1CCNC1C)c1nccs1.
What is the InChIKey of 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is UGVYYFMWKWDOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-10(12-14-6-7-17-12)15-11(16)9-4-5-13-8(9)2/h6-10,13H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide?
2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79384523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).