(2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione

C24H22N2O2S — CID 44804404

IUPAC(2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
SMILESCc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n12
InChIInChI=1S/C24H22N2O2S/c1-15(2)19-11-9-18(10-12-19)14-21-23(28)26-16(3)20(22(27)25-24(26)29-21)13-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3/b21-14-
InChIKeyOXHMXQINEWGEAV-STZFKDTASA-N
MW402.52 g/mol
LogP3.69
Rot. Bonds4

About (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione

(2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione (PubChem CID 44804404) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione.

Molecular Properties

Compound Name(2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
PubChem CID44804404
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name(2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
SMILESCc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n12
InChIInChI=1S/C24H22N2O2S/c1-15(2)19-11-9-18(10-12-19)14-21-23(28)26-16(3)20(22(27)25-24(26)29-21)13-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3/b21-14-
InChIKeyOXHMXQINEWGEAV-STZFKDTASA-N
XLogP3.69
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione?
The IUPAC name of (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione (CID 44804404) is (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione.
What is the SMILES notation for (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione?
The canonical SMILES for (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione is Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n12.
What is the InChIKey of (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione?
The InChIKey is OXHMXQINEWGEAV-STZFKDTASA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-15(2)19-11-9-18(10-12-19)14-21-23(28)26-16(3)20(22(27)25-24(26)29-21)13-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3/b21-14-.
What are the key properties of (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione?
(2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione has a molecular weight of 402.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione is sourced from PubChem (CID 44804404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).