(2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

C21H21N3O2S — CID 126043182

IUPAC(2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCc1nc2s/c(=C\c3c(C)[nH]c4c(C)cccc34)c(=O)n2c(=O)c1C(C)C
InChIInChI=1S/C21H21N3O2S/c1-10(2)17-13(5)23-21-24(20(17)26)19(25)16(27-21)9-15-12(4)22-18-11(3)7-6-8-14(15)18/h6-10,22H,1-5H3/b16-9-
InChIKeyMBOSDVDFQHBQKT-SXGWCWSVSA-N
MW379.49 g/mol
LogP3.19
Rot. Bonds2

About (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

(2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (PubChem CID 126043182) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.

Molecular Properties

Compound Name(2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
PubChem CID126043182
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCc1nc2s/c(=C\c3c(C)[nH]c4c(C)cccc34)c(=O)n2c(=O)c1C(C)C
InChIInChI=1S/C21H21N3O2S/c1-10(2)17-13(5)23-21-24(20(17)26)19(25)16(27-21)9-15-12(4)22-18-11(3)7-6-8-14(15)18/h6-10,22H,1-5H3/b16-9-
InChIKeyMBOSDVDFQHBQKT-SXGWCWSVSA-N
XLogP3.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-[(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
(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
5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1001420
5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2902320
(4Z)-10-bromo-4-[(2-methyl-1H-indol-3-yl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
CID 1001446
(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 (2E,5S)-7-methyl-2-[(7-methyl-2-phenyl-1H-indol-3-yl)methylidene]-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126001126
(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
propan-2-yl (2E,5R)-5-(4-chlorophenyl)-7-methyl-2-[(7-methyl-2-phenyl-1H-indol-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126007895
2-(2-chloropyrimidin-4-yl)-7-methyl-3-phenyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 164606252
(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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The IUPAC name of (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (CID 126043182) is (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.
What is the SMILES notation for (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The canonical SMILES for (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is Cc1nc2s/c(=C\c3c(C)[nH]c4c(C)cccc34)c(=O)n2c(=O)c1C(C)C.
What is the InChIKey of (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The InChIKey is MBOSDVDFQHBQKT-SXGWCWSVSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-10(2)17-13(5)23-21-24(20(17)26)19(25)16(27-21)9-15-12(4)22-18-11(3)7-6-8-14(15)18/h6-10,22H,1-5H3/b16-9-.
What are the key properties of (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
(2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione has a molecular weight of 379.49 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is sourced from PubChem (CID 126043182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).