N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide

C13H19N3OS — CID 71983161

IUPACN-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncc(C=CC(=O)NC2CCN(C)CC2)s1
InChIInChI=1S/C13H19N3OS/c1-10-14-9-12(18-10)3-4-13(17)15-11-5-7-16(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,15,17)
InChIKeyPUFRXYKESCDUIG-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.68
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide

N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 71983161) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID71983161
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncc(C=CC(=O)NC2CCN(C)CC2)s1
InChIInChI=1S/C13H19N3OS/c1-10-14-9-12(18-10)3-4-13(17)15-11-5-7-16(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,15,17)
InChIKeyPUFRXYKESCDUIG-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.68
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-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide (CID 71983161) is N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide is Cc1ncc(C=CC(=O)NC2CCN(C)CC2)s1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is PUFRXYKESCDUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-14-9-12(18-10)3-4-13(17)15-11-5-7-16(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 265.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 71983161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).