N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide

C10H12N2O2S — CID 136572511

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1nc2c(s1)COCC2
InChIInChI=1S/C10H12N2O2S/c1-2-9(13)11-5-10-12-7-3-4-14-6-8(7)15-10/h2H,1,3-6H2,(H,11,13)
InChIKeyJPUOFYLKRQFETC-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.02
Rot. Bonds3

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide (PubChem CID 136572511) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide
PubChem CID136572511
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1nc2c(s1)COCC2
InChIInChI=1S/C10H12N2O2S/c1-2-9(13)11-5-10-12-7-3-4-14-6-8(7)15-10/h2H,1,3-6H2,(H,11,13)
InChIKeyJPUOFYLKRQFETC-UHFFFAOYSA-N
XLogP1.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide (CID 136572511) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide is C=CC(=O)NCc1nc2c(s1)COCC2.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide?
The InChIKey is JPUOFYLKRQFETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-9(13)11-5-10-12-7-3-4-14-6-8(7)15-10/h2H,1,3-6H2,(H,11,13).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide has a molecular weight of 224.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 136572511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).