2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C28H23N3O4S — CID 18869630

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)C2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2c1nc(C)c(C)s1
InChIInChI=1S/C28H23N3O4S/c1-6-11-30-20-10-8-7-9-19(20)28(26(30)34)22-23(32)18-12-14(2)15(3)13-21(18)35-24(22)25(33)31(28)27-29-16(4)17(5)36-27/h6-10,12-13H,1,11H2,2-5H3
InChIKeyFXIWRAVZPFUPAX-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.92
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869630) has the molecular formula C28H23N3O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18869630
Molecular FormulaC28H23N3O4S
Molecular Weight497.58 g/mol
Exact Mass497.14
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)C2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2c1nc(C)c(C)s1
InChIInChI=1S/C28H23N3O4S/c1-6-11-30-20-10-8-7-9-19(20)28(26(30)34)22-23(32)18-12-14(2)15(3)13-21(18)35-24(22)25(33)31(28)27-29-16(4)17(5)36-27/h6-10,12-13H,1,11H2,2-5H3
InChIKeyFXIWRAVZPFUPAX-UHFFFAOYSA-N
XLogP4.92
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869630) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is C=CCN1C(=O)C2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2c1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is FXIWRAVZPFUPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4S/c1-6-11-30-20-10-8-7-9-19(20)28(26(30)34)22-23(32)18-12-14(2)15(3)13-21(18)35-24(22)25(33)31(28)27-29-16(4)17(5)36-27/h6-10,12-13H,1,11H2,2-5H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 497.58 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).