1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H20N2O4S — CID 3822002

IUPAC1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1
InChIInChI=1S/C24H20N2O4S/c1-4-29-16-8-6-15(7-9-16)20-19-21(27)17-11-13(2)5-10-18(17)30-22(19)23(28)26(20)24-25-14(3)12-31-24/h5-12,20H,4H2,1-3H3
InChIKeyKHIOKGZPCZVYEJ-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.01
Rot. Bonds4

About 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3822002) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3822002
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1
InChIInChI=1S/C24H20N2O4S/c1-4-29-16-8-6-15(7-9-16)20-19-21(27)17-11-13(2)5-10-18(17)30-22(19)23(28)26(20)24-25-14(3)12-31-24/h5-12,20H,4H2,1-3H3
InChIKeyKHIOKGZPCZVYEJ-UHFFFAOYSA-N
XLogP5.01
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
methyl 2-[3,9-dioxo-1-(2-thienyl)-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 2948147
N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)benzamide
CID 3170657
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-methyl-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 3170664
2-Fluoro-N-(2-methoxy-ethyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 3170702
N-(3-Diethylamino-propyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-3-methyl-benzamide
CID 3170752
1-(4-Hydroxy-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4502965
methyl 2-[1-(3-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4526079
methyl 2-[1-(4-ethylphenyl)-7-fluoro-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15991337
2-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-7-fluoro-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991342
4-oxo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]chromene-2-carboxamide
CID 168283646
N-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
CID 168293794

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3822002) is 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KHIOKGZPCZVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-4-29-16-8-6-15(7-9-16)20-19-21(27)17-11-13(2)5-10-18(17)30-22(19)23(28)26(20)24-25-14(3)12-31-24/h5-12,20H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 432.50 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3822002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).