(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H24N2O4S — CID 2036737

IUPAC(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OC(C)C)cc1)N(c1nc(C)c(C)s1)C3=O
InChIInChI=1S/C26H24N2O4S/c1-13(2)31-18-9-7-17(8-10-18)22-21-23(29)19-12-14(3)6-11-20(19)32-24(21)25(30)28(22)26-27-15(4)16(5)33-26/h6-13,22H,1-5H3/t22-/m1/s1
InChIKeyJABZAQKRVVTJPX-JOCHJYFZSA-N
MW460.56 g/mol
LogP5.71
Rot. Bonds4

About (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2036737) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2036737
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OC(C)C)cc1)N(c1nc(C)c(C)s1)C3=O
InChIInChI=1S/C26H24N2O4S/c1-13(2)31-18-9-7-17(8-10-18)22-21-23(29)19-12-14(3)6-11-20(19)32-24(21)25(30)28(22)26-27-15(4)16(5)33-26/h6-13,22H,1-5H3/t22-/m1/s1
InChIKeyJABZAQKRVVTJPX-JOCHJYFZSA-N
XLogP5.71
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione 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

1-(4-tert-butylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3333231
2-(6-fluoro-1,3-benzothiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4892207
2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2954498
7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3709492
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473134
(1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2006592
(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1303350
7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5112330
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4242620
1-(4-butoxy-3-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707470
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707946
7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4551294

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2036737) is (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OC(C)C)cc1)N(c1nc(C)c(C)s1)C3=O.
What is the InChIKey of (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JABZAQKRVVTJPX-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-13(2)31-18-9-7-17(8-10-18)22-21-23(29)19-12-14(3)6-11-20(19)32-24(21)25(30)28(22)26-27-15(4)16(5)33-26/h6-13,22H,1-5H3/t22-/m1/s1.
What are the key properties of (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 460.56 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2036737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).