(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide

C20H21N3O3S — CID 24656003

IUPAC(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1c(C)nc2sc(C)cn12
InChIInChI=1S/C20H21N3O3S/c1-4-22(11-15-5-7-17-18(9-15)26-12-25-17)19(24)8-6-16-14(3)21-20-23(16)10-13(2)27-20/h5-10H,4,11-12H2,1-3H3/b8-6+
InChIKeyDSVLMUKUGWZSBG-SOFGYWHQSA-N
MW383.47 g/mol
LogP3.80
Rot. Bonds5

About (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide

(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide (PubChem CID 24656003) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide
PubChem CID24656003
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1c(C)nc2sc(C)cn12
InChIInChI=1S/C20H21N3O3S/c1-4-22(11-15-5-7-17-18(9-15)26-12-25-17)19(24)8-6-16-14(3)21-20-23(16)10-13(2)27-20/h5-10H,4,11-12H2,1-3H3/b8-6+
InChIKeyDSVLMUKUGWZSBG-SOFGYWHQSA-N
XLogP3.80
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide (CID 24656003) is (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1c(C)nc2sc(C)cn12.
What is the InChIKey of (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide?
The InChIKey is DSVLMUKUGWZSBG-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-22(11-15-5-7-17-18(9-15)26-12-25-17)19(24)8-6-16-14(3)21-20-23(16)10-13(2)27-20/h5-10H,4,11-12H2,1-3H3/b8-6+.
What are the key properties of (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide?
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide has a molecular weight of 383.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-ethylprop-2-enamide is sourced from PubChem (CID 24656003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).