2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C20H14N2O3S2 — CID 3794471

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)sc1C
InChIInChI=1S/C20H14N2O3S2/c1-10-11(2)27-20(21-10)22-16(14-8-5-9-26-14)15-17(23)12-6-3-4-7-13(12)25-18(15)19(22)24/h3-9,16H,1-2H3
InChIKeyLMPHJRMYGQACCC-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.68
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3794471) has the molecular formula C20H14N2O3S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3794471
Molecular FormulaC20H14N2O3S2
Molecular Weight394.48 g/mol
Exact Mass394.04
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)sc1C
InChIInChI=1S/C20H14N2O3S2/c1-10-11(2)27-20(21-10)22-16(14-8-5-9-26-14)15-17(23)12-6-3-4-7-13(12)25-18(15)19(22)24/h3-9,16H,1-2H3
InChIKeyLMPHJRMYGQACCC-UHFFFAOYSA-N
XLogP4.68
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3794471) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LMPHJRMYGQACCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S2/c1-10-11(2)27-20(21-10)22-16(14-8-5-9-26-14)15-17(23)12-6-3-4-7-13(12)25-18(15)19(22)24/h3-9,16H,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 394.48 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3794471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).