5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C15H13N5O3S2 — CID 90803728

IUPAC5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESC=CCN1C(=O)C(=Cc2c(C)noc2-c2snnc2C)C(=O)NC1=S
InChIInChI=1S/C15H13N5O3S2/c1-4-5-20-14(22)10(13(21)16-15(20)24)6-9-7(2)18-23-11(9)12-8(3)17-19-25-12/h4,6H,1,5H2,2-3H3,(H,16,21,24)
InChIKeyIONRXHVLINIUJN-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.62
Rot. Bonds4

About 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 90803728) has the molecular formula C15H13N5O3S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID90803728
Molecular FormulaC15H13N5O3S2
Molecular Weight375.44 g/mol
Exact Mass375.05
IUPAC Name5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESC=CCN1C(=O)C(=Cc2c(C)noc2-c2snnc2C)C(=O)NC1=S
InChIInChI=1S/C15H13N5O3S2/c1-4-5-20-14(22)10(13(21)16-15(20)24)6-9-7(2)18-23-11(9)12-8(3)17-19-25-12/h4,6H,1,5H2,2-3H3,(H,16,21,24)
InChIKeyIONRXHVLINIUJN-UHFFFAOYSA-N
XLogP1.62
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione 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

5-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91175643
5-(2-methylprop-2-enylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90747851
5-[(2-methylphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2879613
5-[(5-iodofuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1360047
5-[(1,2-dimethylindol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91213032
5-[(1-methylpyrazol-4-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91302383
5-(1-benzothiophen-3-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91251863
5-[(2-chloro-4-iodo-3-pyridinyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91144672
(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 877902
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2057457
5-[(3-fluoro-2-methylphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91048579
5-[(4-amino-3-pyridinyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90734062

Frequently Asked Questions

What is the IUPAC name of 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 90803728) is 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C=CCN1C(=O)C(=Cc2c(C)noc2-c2snnc2C)C(=O)NC1=S.
What is the InChIKey of 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is IONRXHVLINIUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S2/c1-4-5-20-14(22)10(13(21)16-15(20)24)6-9-7(2)18-23-11(9)12-8(3)17-19-25-12/h4,6H,1,5H2,2-3H3,(H,16,21,24).
What are the key properties of 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 375.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazol-4-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 90803728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).