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

C21H21N3O2S — CID 126049072

IUPAC(2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCCc1c(C)nc2s/c(=C\c3c(C)n(C)c4ccc(C)cc34)c(=O)n2c1=O
InChIInChI=1S/C21H21N3O2S/c1-6-14-12(3)22-21-24(19(14)25)20(26)18(27-21)10-15-13(4)23(5)17-8-7-11(2)9-16(15)17/h7-10H,6H2,1-5H3/b18-10-
InChIKeyXHBWNGNPZICJKI-ZDLGFXPLSA-N
MW379.49 g/mol
LogP2.64
Rot. Bonds2

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

(2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (PubChem CID 126049072) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.

Molecular Properties

Compound Name(2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
PubChem CID126049072
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCCc1c(C)nc2s/c(=C\c3c(C)n(C)c4ccc(C)cc34)c(=O)n2c1=O
InChIInChI=1S/C21H21N3O2S/c1-6-14-12(3)22-21-24(19(14)25)20(26)18(27-21)10-15-13(4)23(5)17-8-7-11(2)9-16(15)17/h7-10H,6H2,1-5H3/b18-10-
InChIKeyXHBWNGNPZICJKI-ZDLGFXPLSA-N
XLogP2.64
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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
3-ethenyl-1,2,5-trimethylindole
CID 89379856
3-ethenyl-1,2,6-trimethylquinolin-4-one
CID 126606942
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
(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
(2Z)-2-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124538123
5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2902320
[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-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The IUPAC name of (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) is (2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.
What is the SMILES notation for (2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The canonical SMILES for (2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is CCc1c(C)nc2s/c(=C\c3c(C)n(C)c4ccc(C)cc34)c(=O)n2c1=O.
What is the InChIKey of (2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The InChIKey is XHBWNGNPZICJKI-ZDLGFXPLSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-6-14-12(3)22-21-24(19(14)25)20(26)18(27-21)10-15-13(4)23(5)17-8-7-11(2)9-16(15)17/h7-10H,6H2,1-5H3/b18-10-.
What are the key properties of (2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
(2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione has a molecular weight of 379.49 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is sourced from PubChem (CID 126049072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).