N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide

C13H22N4OS — CID 79772420

IUPACN-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCCCNc1ncc(CN2CCCC2C(=O)NC)s1
InChIInChI=1S/C13H22N4OS/c1-3-6-15-13-16-8-10(19-13)9-17-7-4-5-11(17)12(18)14-2/h8,11H,3-7,9H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyHYKPJGXETGQMEA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.68
Rot. Bonds6

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

N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 79772420) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID79772420
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCCCNc1ncc(CN2CCCC2C(=O)NC)s1
InChIInChI=1S/C13H22N4OS/c1-3-6-15-13-16-8-10(19-13)9-17-7-4-5-11(17)12(18)14-2/h8,11H,3-7,9H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyHYKPJGXETGQMEA-UHFFFAOYSA-N
XLogP1.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 79772420) is N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide is CCCNc1ncc(CN2CCCC2C(=O)NC)s1.
What is the InChIKey of N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HYKPJGXETGQMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-6-15-13-16-8-10(19-13)9-17-7-4-5-11(17)12(18)14-2/h8,11H,3-7,9H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79772420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).