5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole

C24H41N9OS — CID 158516352

IUPAC5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESC=C1CN=C(C(C)C)N1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NS1.CC(C)c1ncn[nH]1
InChIInChI=1S/C7H12N2.C6H10N2O.C6H10N2S.C5H9N3/c1-5(2)7-8-4-6(3)9-7;2*1-4(2)6-7-5(3)9-8-6;1-4(2)5-6-3-7-8-5/h5H,3-4H2,1-2H3,(H,8,9);2*4H,3H2,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8)
InChIKeyHLRCNRDUVMNCGB-UHFFFAOYSA-N
MW503.72 g/mol
LogP4.90
Rot. Bonds4

About 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole

5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158516352) has the molecular formula C24H41N9OS and a molecular weight of 503.72 g/mol. Its IUPAC name is 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID158516352
Molecular FormulaC24H41N9OS
Molecular Weight503.72 g/mol
Exact Mass503.32
IUPAC Name5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESC=C1CN=C(C(C)C)N1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NS1.CC(C)c1ncn[nH]1
InChIInChI=1S/C7H12N2.C6H10N2O.C6H10N2S.C5H9N3/c1-5(2)7-8-4-6(3)9-7;2*1-4(2)6-7-5(3)9-8-6;1-4(2)5-6-3-7-8-5/h5H,3-4H2,1-2H3,(H,8,9);2*4H,3H2,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8)
InChIKeyHLRCNRDUVMNCGB-UHFFFAOYSA-N
XLogP4.90
TPSA123.97 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.72
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole 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

methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole
CID 159665118
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
bis(N,2-dimethylpropanamide);5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-ylpyran-4-one;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157361561
bis(N,2-dimethylpropanamide);3-hydroxy-5-propan-2-ylpyran-4-one;methane;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one;5-propan-2-yl-1H-1,2,4-triazole
CID 159399939
N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114207826
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106282694
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456
N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;3-methylbutan-2-one;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-1H-1,2,4-triazole;N-pyridin-2-ylpropane-2-sulfonamide
CID 159016187
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 106281899
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]hydrazine
CID 105230450

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole (CID 158516352) is 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole is C=C1CN=C(C(C)C)N1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NS1.CC(C)c1ncn[nH]1.
What is the InChIKey of 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is HLRCNRDUVMNCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H10N2O.C6H10N2S.C5H9N3/c1-5(2)7-8-4-6(3)9-7;2*1-4(2)6-7-5(3)9-8-6;1-4(2)5-6-3-7-8-5/h5H,3-4H2,1-2H3,(H,8,9);2*4H,3H2,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8).
What are the key properties of 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole?
5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 503.72 g/mol, XLogP of 4.90, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158516352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).