bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole

C43H61N9O2S2 — CID 167707304

IUPACbis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1ccnc(C)c1.Cc1cnc(C)cn1.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1nnc(C)s1
InChIInChI=1S/C10H15N.C7H9N.C6H8N2.C6H9NS.2C5H7NO.C4H6N2S/c1-6-7(2)9(4)11-10(5)8(6)3;1-6-3-4-8-7(2)5-6;1-5-3-8-6(2)4-7-5;1-4-5(2)8-6(3)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h1-5H3;3-5H,1-2H3;3-4H,1-2H3;1-3H3;2*3H,1-2H3;1-2H3
InChIKeyZHDZKDGSVJUEIF-UHFFFAOYSA-N
MW800.16 g/mol
LogP11.22
Rot. Bonds

About bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole

bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole (PubChem CID 167707304) has the molecular formula C43H61N9O2S2 and a molecular weight of 800.16 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Namebis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole
PubChem CID167707304
Molecular FormulaC43H61N9O2S2
Molecular Weight800.16 g/mol
Exact Mass799.44
IUPAC Namebis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1ccnc(C)c1.Cc1cnc(C)cn1.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1nnc(C)s1
InChIInChI=1S/C10H15N.C7H9N.C6H8N2.C6H9NS.2C5H7NO.C4H6N2S/c1-6-7(2)9(4)11-10(5)8(6)3;1-6-3-4-8-7(2)5-6;1-5-3-8-6(2)4-7-5;1-4-5(2)8-6(3)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h1-5H3;3-5H,1-2H3;3-4H,1-2H3;1-3H3;2*3H,1-2H3;1-2H3
InChIKeyZHDZKDGSVJUEIF-UHFFFAOYSA-N
XLogP11.22
TPSA142.29 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.16
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole (CID 167707304) is bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole is Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccnc(C)c1.Cc1cnc(C)cn1.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1nnc(C)s1.
What is the InChIKey of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is ZHDZKDGSVJUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C7H9N.C6H8N2.C6H9NS.2C5H7NO.C4H6N2S/c1-6-7(2)9(4)11-10(5)8(6)3;1-6-3-4-8-7(2)5-6;1-5-3-8-6(2)4-7-5;1-4-5(2)8-6(3)7-4;2*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h1-5H3;3-5H,1-2H3;3-4H,1-2H3;1-3H3;2*3H,1-2H3;1-2H3.
What are the key properties of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?
bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 800.16 g/mol, XLogP of 11.22, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,4-dimethylpyridine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 167707304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).