N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide

C13H19N3O2S — CID 644927

IUPACN-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(C(=O)N2CCCCC2)s1
InChIInChI=1S/C13H19N3O2S/c1-3-10(17)15-13-14-9(2)11(19-13)12(18)16-7-5-4-6-8-16/h3-8H2,1-2H3,(H,14,15,17)
InChIKeyQXYOPOBEQNQGPJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.43
Rot. Bonds3

About N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide

N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 644927) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide
PubChem CID644927
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(C(=O)N2CCCCC2)s1
InChIInChI=1S/C13H19N3O2S/c1-3-10(17)15-13-14-9(2)11(19-13)12(18)16-7-5-4-6-8-16/h3-8H2,1-2H3,(H,14,15,17)
InChIKeyQXYOPOBEQNQGPJ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide (CID 644927) is N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(C)c(C(=O)N2CCCCC2)s1.
What is the InChIKey of N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is QXYOPOBEQNQGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-10(17)15-13-14-9(2)11(19-13)12(18)16-7-5-4-6-8-16/h3-8H2,1-2H3,(H,14,15,17).
What are the key properties of N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide?
N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 281.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 644927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).