(1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H19BrN2O4S — CID 2001083

IUPAC(1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1
InChIInChI=1S/C24H19BrN2O4S/c1-3-10-30-16-7-4-14(5-8-16)20-19-21(28)17-11-15(25)6-9-18(17)31-22(19)23(29)27(20)24-26-13(2)12-32-24/h4-9,11-12,20H,3,10H2,1-2H3/t20-/m0/s1
InChIKeyIICRGLSCMVCJDC-FQEVSTJZSA-N
MW511.40 g/mol
LogP5.86
Rot. Bonds5

About (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2001083) has the molecular formula C24H19BrN2O4S and a molecular weight of 511.40 g/mol. Its IUPAC name is (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2001083
Molecular FormulaC24H19BrN2O4S
Molecular Weight511.40 g/mol
Exact Mass510.02
IUPAC Name(1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1
InChIInChI=1S/C24H19BrN2O4S/c1-3-10-30-16-7-4-14(5-8-16)20-19-21(28)17-11-15(25)6-9-18(17)31-22(19)23(29)27(20)24-26-13(2)12-32-24/h4-9,11-12,20H,3,10H2,1-2H3/t20-/m0/s1
InChIKeyIICRGLSCMVCJDC-FQEVSTJZSA-N
XLogP5.86
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.40
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2014190
(1R)-7-bromo-1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2020811
(1S)-1-(4-bromophenyl)-7-chloro-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008516
7-bromo-2-(5-methyl-2-pyridinyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709024
7-bromo-1-(4-hexoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707854
7-bromo-1-(4-hexoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704977
7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5218391
7-bromo-2-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879727
7-bromo-1-(2,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3681238
7-bromo-1-(4-butoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708781
7-bromo-1-(4-butoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854704
(1S)-7-chloro-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2025418

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2001083) is (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1.
What is the InChIKey of (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IICRGLSCMVCJDC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H19BrN2O4S/c1-3-10-30-16-7-4-14(5-8-16)20-19-21(28)17-11-15(25)6-9-18(17)31-22(19)23(29)27(20)24-26-13(2)12-32-24/h4-9,11-12,20H,3,10H2,1-2H3/t20-/m0/s1.
What are the key properties of (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 511.40 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2001083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).