1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H26N2O4S — CID 74759406

IUPAC1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2C3=C(OC4CC(C)C(C)CC4C3=O)C(=O)N2c2nccs2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-29-16-7-5-15(6-8-16)20-19-21(27)17-11-13(2)14(3)12-18(17)30-22(19)23(28)26(20)24-25-9-10-31-24/h5-10,13-14,17-18,20H,4,11-12H2,1-3H3
InChIKeyNCDBXNAPYRWCOJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.53
Rot. Bonds4

About 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 74759406) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID74759406
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2C3=C(OC4CC(C)C(C)CC4C3=O)C(=O)N2c2nccs2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-29-16-7-5-15(6-8-16)20-19-21(27)17-11-13(2)14(3)12-18(17)30-22(19)23(28)26(20)24-25-9-10-31-24/h5-10,13-14,17-18,20H,4,11-12H2,1-3H3
InChIKeyNCDBXNAPYRWCOJ-UHFFFAOYSA-N
XLogP4.53
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(3-hydroxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261441
1-(3-ethoxyphenyl)-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261382
1-(4-prop-2-enoxyphenyl)-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78249503
7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746881
1-(3,4-dimethoxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255569
7-methyl-1-(4-propoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74482403
methyl 2-[1-(4-ethoxyphenyl)-7-methyl-3,9-dioxo-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 73260450
1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74685402
7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78252908
6-methoxy-1-pyridin-2-yl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78372215
1-(2-fluorophenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78370213
2-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74744719

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 74759406) is 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2C3=C(OC4CC(C)C(C)CC4C3=O)C(=O)N2c2nccs2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NCDBXNAPYRWCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-29-16-7-5-15(6-8-16)20-19-21(27)17-11-13(2)14(3)12-18(17)30-22(19)23(28)26(20)24-25-9-10-31-24/h5-10,13-14,17-18,20H,4,11-12H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 438.55 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 74759406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).