tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole

C68H108N12O2S4 — CID 160527412

IUPACtetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/2C8H12S.4C7H12N2.2C6H9NO.2C6H9NS/c2*1-5-6(2)8(4)9-7(5)3;4*1-5-6(2)8-9(4)7(5)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h6*1-4H3;4*1-3H3
InChIKeyQVBYRKNEVSNURI-UHFFFAOYSA-N
MW1253.96 g/mol
LogP18.68
Rot. Bonds

About tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole

tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole (PubChem CID 160527412) has the molecular formula C68H108N12O2S4 and a molecular weight of 1253.96 g/mol. Its IUPAC name is tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole.

Molecular Properties

Compound Nametetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole
PubChem CID160527412
Molecular FormulaC68H108N12O2S4
Molecular Weight1253.96 g/mol
Exact Mass1252.76
IUPAC Nametetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/2C8H12S.4C7H12N2.2C6H9NO.2C6H9NS/c2*1-5-6(2)8(4)9-7(5)3;4*1-5-6(2)8-9(4)7(5)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h6*1-4H3;4*1-3H3
InChIKeyQVBYRKNEVSNURI-UHFFFAOYSA-N
XLogP18.68
TPSA149.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001253.96
LogP ≤ 518.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole with MolForge

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Related Compounds

1,3,4,5-Tetramethylpyrazole;bis(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2-thiazole
CID 157050964
4-Tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole
CID 157296302
2,3-Dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole
CID 157408937
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;ethane;2-methylpropane;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157647350
Bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;tris(3,4,5-trimethyl-1,2-thiazole)
CID 157668559
Bis(2-methyl-4,5-di(propan-2-yl)-1,3-oxazole);5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;bis(2-methyl-4,5-di(propan-2-yl)-1,3-thiazole);3-methyl-4,5-di(propan-2-yl)-1,2-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole
CID 157721538
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157779007
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;propane;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4,5-tetramethyl-1-propan-2-ylpyrrole;1,3,4,5-tetramethylpyrazole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157887460
3,4-Dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole
CID 158113386
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 158506406
Bis(2-methyl-4,5-di(propan-2-yl)-1,3-oxazole);3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;bis(2-methyl-4,5-di(propan-2-yl)-1,3-thiazole);3-methyl-4,5-di(propan-2-yl)-1,2-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole
CID 159073510
Bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);tris(3,4,5-trimethyl-1,2-thiazole);1,4,5-trimethyltriazole
CID 159097909

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole?
The IUPAC name of tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole (CID 160527412) is tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole.
What is the SMILES notation for tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole?
The canonical SMILES for tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C.
What is the InChIKey of tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole?
The InChIKey is QVBYRKNEVSNURI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12S.4C7H12N2.2C6H9NO.2C6H9NS/c2*1-5-6(2)8(4)9-7(5)3;4*1-5-6(2)8-9(4)7(5)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h6*1-4H3;4*1-3H3.
What are the key properties of tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole?
tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole has a molecular weight of 1253.96 g/mol, XLogP of 18.68, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole is sourced from PubChem (CID 160527412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).