2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H18N2O4S — CID 3647081

IUPAC2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)cc2)nc1C
InChIInChI=1S/C24H18N2O4S/c1-12-8-10-15(11-9-12)19-18-20(28)16-6-4-5-7-17(16)30-21(18)23(29)26(19)24-25-13(2)22(31-24)14(3)27/h4-11,19H,1-3H3
InChIKeyBANRPVHJDYCESA-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.82
Rot. Bonds3

About 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3647081) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3647081
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC Name2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)cc2)nc1C
InChIInChI=1S/C24H18N2O4S/c1-12-8-10-15(11-9-12)19-18-20(28)16-6-4-5-7-17(16)30-21(18)23(29)26(19)24-25-13(2)22(31-24)14(3)27/h4-11,19H,1-3H3
InChIKeyBANRPVHJDYCESA-UHFFFAOYSA-N
XLogP4.82
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3647081) is 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)cc2)nc1C.
What is the InChIKey of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BANRPVHJDYCESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c1-12-8-10-15(11-9-12)19-18-20(28)16-6-4-5-7-17(16)30-21(18)23(29)26(19)24-25-13(2)22(31-24)14(3)27/h4-11,19H,1-3H3.
What are the key properties of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 430.49 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3647081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).