1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C20H12N2O3S — CID 3586760

IUPAC1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccccc2)N1c1nccs1
InChIInChI=1S/C20H12N2O3S/c23-17-13-8-4-5-9-14(13)25-18-15(17)16(12-6-2-1-3-7-12)22(19(18)24)20-21-10-11-26-20/h1-11,16H
InChIKeyVHXHKBJDBDGPEJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.00
Rot. Bonds2

About 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3586760) has the molecular formula C20H12N2O3S and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3586760
Molecular FormulaC20H12N2O3S
Molecular Weight360.39 g/mol
Exact Mass360.06
IUPAC Name1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccccc2)N1c1nccs1
InChIInChI=1S/C20H12N2O3S/c23-17-13-8-4-5-9-14(13)25-18-15(17)16(12-6-2-1-3-7-12)22(19(18)24)20-21-10-11-26-20/h1-11,16H
InChIKeyVHXHKBJDBDGPEJ-UHFFFAOYSA-N
XLogP4.00
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzofuran-2-carbonyl)-3-hydroxy-5-phenyl-1-(thiazol-2-yl)-1H-pyrrol-2(5H)-one
CID 3830309
1-(4-Hydroxy-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4502965
1-(4-Hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2947497
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 2890485
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3397594
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4503329
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3647081
4-oxo-N-(thiazol-2-yl)-4H-chromene-2-carboxamide
CID 4525826
1-(3-Ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 5013593
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3786442
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3794446
7-Fluoro-1-(pyridin-2-yl)-2-(thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4970422

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3586760) is 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccccc2)N1c1nccs1.
What is the InChIKey of 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VHXHKBJDBDGPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3S/c23-17-13-8-4-5-9-14(13)25-18-15(17)16(12-6-2-1-3-7-12)22(19(18)24)20-21-10-11-26-20/h1-11,16H.
What are the key properties of 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 360.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3586760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).