6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H15N3O3S — CID 23471760

IUPAC6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1cccnc1)N(c1nccs1)C3=O
InChIInChI=1S/C21H15N3O3S/c1-11-8-14-15(9-12(11)2)27-19-16(18(14)25)17(13-4-3-5-22-10-13)24(20(19)26)21-23-6-7-28-21/h3-10,17H,1-2H3
InChIKeyOCPIFLYFYNGFOJ-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.01
Rot. Bonds2

About 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23471760) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23471760
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC Name6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1cccnc1)N(c1nccs1)C3=O
InChIInChI=1S/C21H15N3O3S/c1-11-8-14-15(9-12(11)2)27-19-16(18(14)25)17(13-4-3-5-22-10-13)24(20(19)26)21-23-6-7-28-21/h3-10,17H,1-2H3
InChIKeyOCPIFLYFYNGFOJ-UHFFFAOYSA-N
XLogP4.01
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-hydroxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5053064
(1S)-1-(4-chlorophenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019852
1-(4-tert-butylphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707955
(1R)-6,7-dimethyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143873
1-(3-ethoxy-4-phenylmethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708123
(1S)-1-(3-chlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2028635
1-(3-ethoxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5192895
(1S)-7-methyl-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2209478
(1R)-7-methyl-2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40971285
(1R)-1-(4-bromophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2013917
(1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638095
(1S)-1-(4-chlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2004024

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23471760) is 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccnc1)N(c1nccs1)C3=O.
What is the InChIKey of 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OCPIFLYFYNGFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-11-8-14-15(9-12(11)2)27-19-16(18(14)25)17(13-4-3-5-22-10-13)24(20(19)26)21-23-6-7-28-21/h3-10,17H,1-2H3.
What are the key properties of 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 389.44 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-pyridin-3-yl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23471760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).