6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C20H22N2O4S2 — CID 3739440

IUPAC6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCOc1ccc2c(c1OC)C(=O)N1C2SC(C)(C)C1C(=O)NCc1cccs1
InChIInChI=1S/C20H22N2O4S2/c1-20(2)16(17(23)21-10-11-6-5-9-27-11)22-18(24)14-12(19(22)28-20)7-8-13(25-3)15(14)26-4/h5-9,16,19H,10H2,1-4H3,(H,21,23)
InChIKeyBGYOOVPCEZXEIP-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.43
Rot. Bonds5

About 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 3739440) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
PubChem CID3739440
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC Name6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCOc1ccc2c(c1OC)C(=O)N1C2SC(C)(C)C1C(=O)NCc1cccs1
InChIInChI=1S/C20H22N2O4S2/c1-20(2)16(17(23)21-10-11-6-5-9-27-11)22-18(24)14-12(19(22)28-20)7-8-13(25-3)15(14)26-4/h5-9,16,19H,10H2,1-4H3,(H,21,23)
InChIKeyBGYOOVPCEZXEIP-UHFFFAOYSA-N
XLogP3.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6,7-dimethoxy-2,2-dimethyl-5-oxo-N-prop-2-enyl-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3815559
6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(2-phenylethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3405957
(3R,9bR)-6,7-dimethoxy-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7002561
(3R,9bS)-6,7-dimethoxy-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7002560
N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 4303542
N-(4-acetamidophenyl)-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 45370828
(3R,9bS)-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
CID 7093035
(3R,9bS)-6,7-dimethoxy-2,2-dimethyl-5-oxo-N-[(1R)-1-phenylethyl]-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 40884683
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3826455
(3R,9bR)-6,7-dimethoxy-N-[(4-methylphenyl)methyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7091880
(3R,9bR)-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 40853490
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The IUPAC name of 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (CID 3739440) is 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The canonical SMILES for 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is COc1ccc2c(c1OC)C(=O)N1C2SC(C)(C)C1C(=O)NCc1cccs1.
What is the InChIKey of 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The InChIKey is BGYOOVPCEZXEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-20(2)16(17(23)21-10-11-6-5-9-27-11)22-18(24)14-12(19(22)28-20)7-8-13(25-3)15(14)26-4/h5-9,16,19H,10H2,1-4H3,(H,21,23).
What are the key properties of 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,2-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 3739440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).