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

C55H84N10O5S3 — CID 157050964

IUPAC1,3,4,5-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
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/C7H12N2.5C6H9NO.3C6H9NS/c1-5-6(2)8-9(4)7(5)3;2*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h1-4H3;8*1-3H3
InChIKeyAAEWKAYKFDDKDN-UHFFFAOYSA-N
MW1061.54 g/mol
LogP15.55
Rot. Bonds

About 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

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 (PubChem CID 157050964) has the molecular formula C55H84N10O5S3 and a molecular weight of 1061.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,4,5-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
PubChem CID157050964
Molecular FormulaC55H84N10O5S3
Molecular Weight1061.54 g/mol
Exact Mass1060.58
IUPAC Name1,3,4,5-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
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/C7H12N2.5C6H9NO.3C6H9NS/c1-5-6(2)8-9(4)7(5)3;2*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h1-4H3;8*1-3H3
InChIKeyAAEWKAYKFDDKDN-UHFFFAOYSA-N
XLogP15.55
TPSA186.64 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.54
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

Tris(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)
CID 157063284
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
3,4-Dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;bis(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
CID 157554819
4-Tert-butyl-3,5-dimethyl-1,2-oxazole;4,5-ditert-butyl-1,2-dimethylimidazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;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 157585514
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
Bis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);3,4,5-trimethyl-1,2-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2-thiazole
CID 157863921
Bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 158123472
Bis(4,5-dimethyloxadiazole);3,4-dimethyl-1,2,5-thiadiazole;bis(4,5-dimethylthiadiazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);3,4,5-trimethyl-1,2-thiazole
CID 158993677
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
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 159208535
1,3-Dimethylpyrazole;1,4-dimethylpyrazole;ethane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole
CID 159489277

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.
What is the InChIKey of 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?
The InChIKey is AAEWKAYKFDDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.5C6H9NO.3C6H9NS/c1-5-6(2)8-9(4)7(5)3;2*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h1-4H3;8*1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1061.54 g/mol, XLogP of 15.55, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157050964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).