7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C20H11BrFN3O3S — CID 4704959

IUPAC7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)s1
InChIInChI=1S/C20H11BrFN3O3S/c1-9-23-24-20(29-9)25-16(11-4-2-3-5-13(11)22)15-17(26)12-8-10(21)6-7-14(12)28-18(15)19(25)27/h2-8,16H,1H3
InChIKeyQMSMWHDOQLNAEH-UHFFFAOYSA-N
MW472.30 g/mol
LogP4.60
Rot. Bonds2

About 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4704959) has the molecular formula C20H11BrFN3O3S and a molecular weight of 472.30 g/mol. Its IUPAC name is 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4704959
Molecular FormulaC20H11BrFN3O3S
Molecular Weight472.30 g/mol
Exact Mass470.97
IUPAC Name7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)s1
InChIInChI=1S/C20H11BrFN3O3S/c1-9-23-24-20(29-9)25-16(11-4-2-3-5-13(11)22)15-17(26)12-8-10(21)6-7-14(12)28-18(15)19(25)27/h2-8,16H,1H3
InChIKeyQMSMWHDOQLNAEH-UHFFFAOYSA-N
XLogP4.60
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-1-(4-bromophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704936
7-bromo-1-(3-bromophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704932
7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854871
7-bromo-1-(2-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709034
7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4271735
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
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707129
7-bromo-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707214
(1S)-1-(3-fluorophenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2006015
1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857876
2-benzyl-7-bromo-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3565473
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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4704959) is 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1nnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)s1.
What is the InChIKey of 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QMSMWHDOQLNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrFN3O3S/c1-9-23-24-20(29-9)25-16(11-4-2-3-5-13(11)22)15-17(26)12-8-10(21)6-7-14(12)28-18(15)19(25)27/h2-8,16H,1H3.
What are the key properties of 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 472.30 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4704959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).