2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane

C67H106N16O4S3 — CID 158600290

IUPAC2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane
SMILESC=C(N)OC.C=C(N)OCC.CC1(c2ccccn2)CC1.CC1CSC1.CC=NOC.CC=NOCC.CCc1ccccn1.CCc1ccnn1C.CCc1cscn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncnc1.Cc1csc(C)n1
InChIInChI=1S/C9H11N.C7H9N.2C6H8N2.C6H10N2.C5H6N2.2C5H7NS.2C4H9NO.C4H8S.2C3H7NO/c1-9(5-6-9)8-4-2-3-7-10-8;1-2-7-5-3-4-6-8-7;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-3-6-4-5-7-8(6)2;1-5-2-6-4-7-3-5;1-4-3-7-5(2)6-4;1-2-5-3-7-4-6-5;1-3-6-4(2)5;1-3-5-6-4-2;1-4-2-5-3-4;1-3-4-5-2;1-3(4)5-2/h2-4,7H,5-6H2,1H3;3-6H,2H2,1H3;2*3-4H,1-2H3;4-5H,3H2,1-2H3;2-4H,1H3;3H,1-2H3;3-4H,2H2,1H3;2-3,5H2,1H3;3H,4H2,1-2H3;4H,2-3H2,1H3;3H,1-2H3;1,4H2,2H3
InChIKeyHVNYHDCHDLUJFF-UHFFFAOYSA-N
MW1295.89 g/mol
LogP14.75
Rot. Bonds10

About 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane

2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane (PubChem CID 158600290) has the molecular formula C67H106N16O4S3 and a molecular weight of 1295.89 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane.

Molecular Properties

Compound Name2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane
PubChem CID158600290
Molecular FormulaC67H106N16O4S3
Molecular Weight1295.89 g/mol
Exact Mass1294.77
IUPAC Name2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane
SMILESC=C(N)OC.C=C(N)OCC.CC1(c2ccccn2)CC1.CC1CSC1.CC=NOC.CC=NOCC.CCc1ccccn1.CCc1ccnn1C.CCc1cscn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncnc1.Cc1csc(C)n1
InChIInChI=1S/C9H11N.C7H9N.2C6H8N2.C6H10N2.C5H6N2.2C5H7NS.2C4H9NO.C4H8S.2C3H7NO/c1-9(5-6-9)8-4-2-3-7-10-8;1-2-7-5-3-4-6-8-7;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-3-6-4-5-7-8(6)2;1-5-2-6-4-7-3-5;1-4-3-7-5(2)6-4;1-2-5-3-7-4-6-5;1-3-6-4(2)5;1-3-5-6-4-2;1-4-2-5-3-4;1-3-4-5-2;1-3(4)5-2/h2-4,7H,5-6H2,1H3;3-6H,2H2,1H3;2*3-4H,1-2H3;4-5H,3H2,1-2H3;2-4H,1H3;3H,1-2H3;3-4H,2H2,1H3;2-3,5H2,1H3;3H,4H2,1-2H3;4H,2-3H2,1H3;3H,1-2H3;1,4H2,2H3
InChIKeyHVNYHDCHDLUJFF-UHFFFAOYSA-N
XLogP14.75
TPSA260.40 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.89
LogP ≤ 514.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane with MolForge

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Related Compounds

2-[3-[5-[4-[2-(4-Pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 123502105
2-[1-Piperidin-1-yl-2-pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazolidin-2-yl)piperidin-4-yl]-1,3-thiazole
CID 141123565
bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157075524
Cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)
CID 157122711
2-(azetidin-1-yl)-6-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-2-amine;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-imidazol-1-yl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-(oxan-4-yloxy)-4-propan-2-ylpyrimidine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-6-propan-2-ylpyridine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;6-(6-propan-2-yl-2-pyridinyl)-1-oxa-6-azaspiro[3.3]heptane;4-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 157137623
2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine
CID 157151265
Hydrazine;6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-2-carbothioamide;4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole;oxaldehyde;hydrate
CID 157360510
2,5-Ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyl-1,3-thiazole;methane
CID 157517247
N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine
CID 157526002
N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine
CID 157557784
2,5-Di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)
CID 157612081
ethane;methane;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157745000

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane?
The IUPAC name of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane (CID 158600290) is 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane.
What is the SMILES notation for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane?
The canonical SMILES for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane is C=C(N)OC.C=C(N)OCC.CC1(c2ccccn2)CC1.CC1CSC1.CC=NOC.CC=NOCC.CCc1ccccn1.CCc1ccnn1C.CCc1cscn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncnc1.Cc1csc(C)n1.
What is the InChIKey of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane?
The InChIKey is HVNYHDCHDLUJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C7H9N.2C6H8N2.C6H10N2.C5H6N2.2C5H7NS.2C4H9NO.C4H8S.2C3H7NO/c1-9(5-6-9)8-4-2-3-7-10-8;1-2-7-5-3-4-6-8-7;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-3-6-4-5-7-8(6)2;1-5-2-6-4-7-3-5;1-4-3-7-5(2)6-4;1-2-5-3-7-4-6-5;1-3-6-4(2)5;1-3-5-6-4-2;1-4-2-5-3-4;1-3-4-5-2;1-3(4)5-2/h2-4,7H,5-6H2,1H3;3-6H,2H2,1H3;2*3-4H,1-2H3;4-5H,3H2,1-2H3;2-4H,1H3;3H,1-2H3;3-4H,2H2,1H3;2-3,5H2,1H3;3H,4H2,1-2H3;4H,2-3H2,1H3;3H,1-2H3;1,4H2,2H3.
What are the key properties of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane?
2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane has a molecular weight of 1295.89 g/mol, XLogP of 14.75, 10 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;1-ethoxyethenamine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine;3-methylthietane is sourced from PubChem (CID 158600290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).