(1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H14N2O4S — CID 40638095

IUPAC(1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(c1nccs1)C3=O
InChIInChI=1S/C21H14N2O4S/c1-11-2-7-15-14(10-11)18(25)16-17(12-3-5-13(24)6-4-12)23(20(26)19(16)27-15)21-22-8-9-28-21/h2-10,17,24H,1H3/t17-/m0/s1
InChIKeyWCGPDWMGBCWKPV-KRWDZBQOSA-N
MW390.42 g/mol
LogP4.01
Rot. Bonds2

About (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40638095) has the molecular formula C21H14N2O4S and a molecular weight of 390.42 g/mol. Its IUPAC name is (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40638095
Molecular FormulaC21H14N2O4S
Molecular Weight390.42 g/mol
Exact Mass390.07
IUPAC Name(1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(c1nccs1)C3=O
InChIInChI=1S/C21H14N2O4S/c1-11-2-7-15-14(10-11)18(25)16-17(12-3-5-13(24)6-4-12)23(20(26)19(16)27-15)21-22-8-9-28-21/h2-10,17,24H,1H3/t17-/m0/s1
InChIKeyWCGPDWMGBCWKPV-KRWDZBQOSA-N
XLogP4.01
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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-chlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2004024
(1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002212
methyl 4-[(1S)-7-methyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 2012142
(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
(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
1-(4-hydroxyphenyl)-7-methyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857468
1-(3-methoxy-4-pentoxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707407
(1S)-1-(4-chlorophenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019852
7-bromo-1-(4-tert-butylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3814948

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40638095) is (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(c1nccs1)C3=O.
What is the InChIKey of (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WCGPDWMGBCWKPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H14N2O4S/c1-11-2-7-15-14(10-11)18(25)16-17(12-3-5-13(24)6-4-12)23(20(26)19(16)27-15)21-22-8-9-28-21/h2-10,17,24H,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 390.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-hydroxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40638095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).