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

C23H17ClN2O4S — CID 2044191

IUPAC(1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nc(C)c(C)s1
InChIInChI=1S/C23H17ClN2O4S/c1-11-12(2)31-23(25-11)26-19(14-6-4-5-7-16(14)29-3)18-20(27)15-10-13(24)8-9-17(15)30-21(18)22(26)28/h4-10,19H,1-3H3/t19-/m1/s1
InChIKeyKYBGBIIMRHVQRK-LJQANCHMSA-N
MW452.92 g/mol
LogP5.28
Rot. Bonds3

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

(1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2044191) has the molecular formula C23H17ClN2O4S and a molecular weight of 452.92 g/mol. Its IUPAC name is (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2044191
Molecular FormulaC23H17ClN2O4S
Molecular Weight452.92 g/mol
Exact Mass452.06
IUPAC Name(1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nc(C)c(C)s1
InChIInChI=1S/C23H17ClN2O4S/c1-11-12(2)31-23(25-11)26-19(14-6-4-5-7-16(14)29-3)18-20(27)15-10-13(24)8-9-17(15)30-21(18)22(26)28/h4-10,19H,1-3H3/t19-/m1/s1
InChIKeyKYBGBIIMRHVQRK-LJQANCHMSA-N
XLogP5.28
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.92
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
(1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41009340
(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
methyl 2-[7-chloro-1-(2-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4708610
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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708609
(1R)-1-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1236620
7-bromo-1-(3-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4555244
7-bromo-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707698
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19133985
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4503127

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2044191) is (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nc(C)c(C)s1.
What is the InChIKey of (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KYBGBIIMRHVQRK-LJQANCHMSA-N. The full InChI is InChI=1S/C23H17ClN2O4S/c1-11-12(2)31-23(25-11)26-19(14-6-4-5-7-16(14)29-3)18-20(27)15-10-13(24)8-9-17(15)30-21(18)22(26)28/h4-10,19H,1-3H3/t19-/m1/s1.
What are the key properties of (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 452.92 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2044191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).