5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione

C21H18Cl2N4O3S — CID 24556958

IUPAC5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2cc(=O)n3c4c(sc3n2)CCCC4)C1=O
InChIInChI=1S/C21H18Cl2N4O3S/c1-21(13-7-6-11(22)8-14(13)23)18(29)26(19(30)25-21)10-12-9-17(28)27-15-4-2-3-5-16(15)31-20(27)24-12/h6-9H,2-5,10H2,1H3,(H,25,30)
InChIKeyZOXFYQRQWLTMAG-UHFFFAOYSA-N
MW477.37 g/mol
LogP3.91
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione

5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 24556958) has the molecular formula C21H18Cl2N4O3S and a molecular weight of 477.37 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID24556958
Molecular FormulaC21H18Cl2N4O3S
Molecular Weight477.37 g/mol
Exact Mass476.05
IUPAC Name5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2cc(=O)n3c4c(sc3n2)CCCC4)C1=O
InChIInChI=1S/C21H18Cl2N4O3S/c1-21(13-7-6-11(22)8-14(13)23)18(29)26(19(30)25-21)10-12-9-17(28)27-15-4-2-3-5-16(15)31-20(27)24-12/h6-9H,2-5,10H2,1H3,(H,25,30)
InChIKeyZOXFYQRQWLTMAG-UHFFFAOYSA-N
XLogP3.91
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione (CID 24556958) is 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2cc(=O)n3c4c(sc3n2)CCCC4)C1=O.
What is the InChIKey of 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZOXFYQRQWLTMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3S/c1-21(13-7-6-11(22)8-14(13)23)18(29)26(19(30)25-21)10-12-9-17(28)27-15-4-2-3-5-16(15)31-20(27)24-12/h6-9H,2-5,10H2,1H3,(H,25,30).
What are the key properties of 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione?
5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 477.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24556958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).