1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C19H10ClN3O3S — CID 4706852

IUPAC1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(Cl)cc2)N1c1nncs1
InChIInChI=1S/C19H10ClN3O3S/c20-11-7-5-10(6-8-11)15-14-16(24)12-3-1-2-4-13(12)26-17(14)18(25)23(15)19-22-21-9-27-19/h1-9,15H
InChIKeyPGFWBONFDQLNTR-UHFFFAOYSA-N
MW395.83 g/mol
LogP4.05
Rot. Bonds2

About 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706852) has the molecular formula C19H10ClN3O3S and a molecular weight of 395.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706852
Molecular FormulaC19H10ClN3O3S
Molecular Weight395.83 g/mol
Exact Mass395.01
IUPAC Name1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(Cl)cc2)N1c1nncs1
InChIInChI=1S/C19H10ClN3O3S/c20-11-7-5-10(6-8-11)15-14-16(24)12-3-1-2-4-13(12)26-17(14)18(25)23(15)19-22-21-9-27-19/h1-9,15H
InChIKeyPGFWBONFDQLNTR-UHFFFAOYSA-N
XLogP4.05
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706852) is 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccc(Cl)cc2)N1c1nncs1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PGFWBONFDQLNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN3O3S/c20-11-7-5-10(6-8-11)15-14-16(24)12-3-1-2-4-13(12)26-17(14)18(25)23(15)19-22-21-9-27-19/h1-9,15H.
What are the key properties of 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 395.83 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).