N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide

C13H19N3O2S — CID 166406690

IUPACN-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC(C)c1ncc(C)s1
InChIInChI=1S/C13H19N3O2S/c1-5-12(18)16(4)8-11(17)14-6-9(2)13-15-7-10(3)19-13/h5,7,9H,1,6,8H2,2-4H3,(H,14,17)
InChIKeyAODUAZPPGZIDSS-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.32
Rot. Bonds6

About N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide

N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide (PubChem CID 166406690) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide
PubChem CID166406690
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC(C)c1ncc(C)s1
InChIInChI=1S/C13H19N3O2S/c1-5-12(18)16(4)8-11(17)14-6-9(2)13-15-7-10(3)19-13/h5,7,9H,1,6,8H2,2-4H3,(H,14,17)
InChIKeyAODUAZPPGZIDSS-UHFFFAOYSA-N
XLogP1.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide (CID 166406690) is N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)NCC(C)c1ncc(C)s1.
What is the InChIKey of N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide?
The InChIKey is AODUAZPPGZIDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-5-12(18)16(4)8-11(17)14-6-9(2)13-15-7-10(3)19-13/h5,7,9H,1,6,8H2,2-4H3,(H,14,17).
What are the key properties of N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide?
N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide has a molecular weight of 281.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 166406690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).