(6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C15H12Cl2N4OS — CID 56688969

IUPAC(6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES[H]/N=C1C(=C/c2ccc(Cl)cc2Cl)/C(=O)N=C2SC(CCC)=NN2/1
InChIInChI=1S/C15H12Cl2N4OS/c1-2-3-12-20-21-13(18)10(14(22)19-15(21)23-12)6-8-4-5-9(16)7-11(8)17/h4-7,18H,2-3H2,1H3/b10-6-,18-13-
InChIKeyPDDGZKKSBWLWOS-YCAIJGGISA-N
MW367.26 g/mol
LogP4.41
Rot. Bonds3

About (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

(6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (PubChem CID 56688969) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
PubChem CID56688969
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC Name(6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES[H]/N=C1C(=C/c2ccc(Cl)cc2Cl)/C(=O)N=C2SC(CCC)=NN2/1
InChIInChI=1S/C15H12Cl2N4OS/c1-2-3-12-20-21-13(18)10(14(22)19-15(21)23-12)6-8-4-5-9(16)7-11(8)17/h4-7,18H,2-3H2,1H3/b10-6-,18-13-
InChIKeyPDDGZKKSBWLWOS-YCAIJGGISA-N
XLogP4.41
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one 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

(6Z)-6-[[1-(4-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 51664405
6-[[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 3493717
6-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 3624311
2-cyclohexyl-6-[(2,4-dichlorophenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 2901452
(6Z)-6-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 6067374
(6E)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 6391959
(6Z)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 6518902
(6E)-6-[[1-(3-chloro-4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 6251190
(6E)-6-[[1-(3-chlorophenyl)pyrrol-2-yl]methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 46253040
6-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 4271629
(6E)-6-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 6078986
6-[[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 3778899

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CID 56688969) is (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is [H]/N=C1C(=C/c2ccc(Cl)cc2Cl)/C(=O)N=C2SC(CCC)=NN2/1.
What is the InChIKey of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is PDDGZKKSBWLWOS-YCAIJGGISA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-2-3-12-20-21-13(18)10(14(22)19-15(21)23-12)6-8-4-5-9(16)7-11(8)17/h4-7,18H,2-3H2,1H3/b10-6-,18-13-.
What are the key properties of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
(6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 367.26 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 56688969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).