(2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

C22H23N3O2S — CID 126037067

IUPAC(2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCCc1c(C)nc2s/c(=C\c3c(C)n(CC)c4ccc(C)cc34)c(=O)n2c1=O
InChIInChI=1S/C22H23N3O2S/c1-6-15-13(4)23-22-25(20(15)26)21(27)19(28-22)11-16-14(5)24(7-2)18-9-8-12(3)10-17(16)18/h8-11H,6-7H2,1-5H3/b19-11-
InChIKeyGZLFIHSNYDYIHJ-ODLFYWEKSA-N
MW393.51 g/mol
LogP3.13
Rot. Bonds3

About (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

(2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (PubChem CID 126037067) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.

Molecular Properties

Compound Name(2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
PubChem CID126037067
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCCc1c(C)nc2s/c(=C\c3c(C)n(CC)c4ccc(C)cc34)c(=O)n2c1=O
InChIInChI=1S/C22H23N3O2S/c1-6-15-13(4)23-22-25(20(15)26)21(27)19(28-22)11-16-14(5)24(7-2)18-9-8-12(3)10-17(16)18/h8-11H,6-7H2,1-5H3/b19-11-
InChIKeyGZLFIHSNYDYIHJ-ODLFYWEKSA-N
XLogP3.13
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione with MolForge

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Related Compounds

(2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126049072
(2Z)-2-[[1-[(3,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-6-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126038966
(2Z)-2-[(2,5-dimethyl-1-prop-2-ynylindol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126041092
2-[[1-[3-(2,5-dimethylphenoxy)propyl]-2-methylindol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 4295548
(2Z)-2-[[2-methyl-1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 35211846
methyl (2Z,5S)-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126038761
(2Z)-2-[(2,7-dimethyl-1-prop-2-enylindol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126039734
(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126048467
ethyl (2Z,5S)-2-[(2,5-dimethyl-1-propylindol-3-yl)methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126039926
(2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126046269
1,3-diethyl-4-hydroxy-7-methylquinolin-2-one
CID 54703297
[1-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
CID 3335324

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The IUPAC name of (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (CID 126037067) is (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.
What is the SMILES notation for (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The canonical SMILES for (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is CCc1c(C)nc2s/c(=C\c3c(C)n(CC)c4ccc(C)cc34)c(=O)n2c1=O.
What is the InChIKey of (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The InChIKey is GZLFIHSNYDYIHJ-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-6-15-13(4)23-22-25(20(15)26)21(27)19(28-22)11-16-14(5)24(7-2)18-9-8-12(3)10-17(16)18/h8-11H,6-7H2,1-5H3/b19-11-.
What are the key properties of (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
(2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione has a molecular weight of 393.51 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is sourced from PubChem (CID 126037067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).