(1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H13FN2O3S — CID 41102125

IUPAC(1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1nc2ccccc2s1
InChIInChI=1S/C24H13FN2O3S/c25-14-7-5-6-13(12-14)20-19-21(28)15-8-1-3-10-17(15)30-22(19)23(29)27(20)24-26-16-9-2-4-11-18(16)31-24/h1-12,20H/t20-/m1/s1
InChIKeyZGBMKTLCPDWCLX-HXUWFJFHSA-N
MW428.44 g/mol
LogP5.29
Rot. Bonds2

About (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41102125) has the molecular formula C24H13FN2O3S and a molecular weight of 428.44 g/mol. Its IUPAC name is (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41102125
Molecular FormulaC24H13FN2O3S
Molecular Weight428.44 g/mol
Exact Mass428.06
IUPAC Name(1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1nc2ccccc2s1
InChIInChI=1S/C24H13FN2O3S/c25-14-7-5-6-13(12-14)20-19-21(28)15-8-1-3-10-17(15)30-22(19)23(29)27(20)24-26-16-9-2-4-11-18(16)31-24/h1-12,20H/t20-/m1/s1
InChIKeyZGBMKTLCPDWCLX-HXUWFJFHSA-N
XLogP5.29
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-(1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42065977
(1S)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2041168
(1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2041169
ethyl 2-[(1R)-1-(3-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-benzothiazole-6-carboxylate
CID 42065987
(1R)-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41073695
(1S)-2-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2040182
2-(1,3-benzothiazol-2-yl)-1-(2,3-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4901707
1-phenyl-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4907570
2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4911457
(1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2032187
(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
7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4893648

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41102125) is (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1nc2ccccc2s1.
What is the InChIKey of (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZGBMKTLCPDWCLX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H13FN2O3S/c25-14-7-5-6-13(12-14)20-19-21(28)15-8-1-3-10-17(15)30-22(19)23(29)27(20)24-26-16-9-2-4-11-18(16)31-24/h1-12,20H/t20-/m1/s1.
What are the key properties of (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 428.44 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41102125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).