(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

C27H23Cl2N3O2S — CID 126038966

IUPAC(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
SMILESCCc1c(C)nc2s/c(=C\c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccc(C)cc34)c(=O)n2c1=O
InChIInChI=1S/C27H23Cl2N3O2S/c1-5-18-15(3)30-27-32(25(18)33)26(34)24(35-27)12-19-16(4)31(23-9-6-14(2)10-20(19)23)13-17-7-8-21(28)22(29)11-17/h6-12H,5,13H2,1-4H3/b24-12-
InChIKeyCKMRMRPKTUWRAR-MSXFZWOLSA-N
MW524.47 g/mol
LogP5.46
Rot. Bonds4

About (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

(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 (PubChem CID 126038966) has the molecular formula C27H23Cl2N3O2S and a molecular weight of 524.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID126038966
Molecular FormulaC27H23Cl2N3O2S
Molecular Weight524.47 g/mol
Exact Mass523.09
IUPAC Name(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
SMILESCCc1c(C)nc2s/c(=C\c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccc(C)cc34)c(=O)n2c1=O
InChIInChI=1S/C27H23Cl2N3O2S/c1-5-18-15(3)30-27-32(25(18)33)26(34)24(35-27)12-19-16(4)31(23-9-6-14(2)10-20(19)23)13-17-7-8-21(28)22(29)11-17/h6-12H,5,13H2,1-4H3/b24-12-
InChIKeyCKMRMRPKTUWRAR-MSXFZWOLSA-N
XLogP5.46
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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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)-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-[(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
methyl (2Z,5R)-2-[[1-[(3,4-dichlorophenyl)methyl]-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 126048622
(4E)-4-[[1-[(3,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-methyl-2-(2,4,5-trifluorophenyl)pyrazol-3-one
CID 126049696
(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-(4-bromophenyl)-5-[[1-[(3,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3927599
(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
N-[(E)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126048849
1-[(3,4-dichlorophenyl)methyl]-2-methylindole-3-carbaldehyde
CID 879291
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1c(C)nc2s/c(=C\c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccc(C)cc34)c(=O)n2c1=O.
What is the InChIKey of (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?
The InChIKey is CKMRMRPKTUWRAR-MSXFZWOLSA-N. The full InChI is InChI=1S/C27H23Cl2N3O2S/c1-5-18-15(3)30-27-32(25(18)33)26(34)24(35-27)12-19-16(4)31(23-9-6-14(2)10-20(19)23)13-17-7-8-21(28)22(29)11-17/h6-12H,5,13H2,1-4H3/b24-12-.
What are the key properties of (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?
(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 has a molecular weight of 524.47 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 126038966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).