N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide

C13H19N3O2S — CID 47259825

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C13H19N3O2S/c1-3-11(17)16-7-5-4-6-10(16)12(18)15-13-14-8-9(2)19-13/h8,10H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyBAJBZCYZQWDYAV-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.18
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide (PubChem CID 47259825) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide
PubChem CID47259825
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C13H19N3O2S/c1-3-11(17)16-7-5-4-6-10(16)12(18)15-13-14-8-9(2)19-13/h8,10H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyBAJBZCYZQWDYAV-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide (CID 47259825) is N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCCC1C(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide?
The InChIKey is BAJBZCYZQWDYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-11(17)16-7-5-4-6-10(16)12(18)15-13-14-8-9(2)19-13/h8,10H,3-7H2,1-2H3,(H,14,15,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 47259825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).