1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole

C57H93N13OS — CID 159819378

IUPAC1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
SMILESCc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nnc(C)c(C)c1C
InChIInChI=1S/C9H15N.C8H12N2.4C7H12N2.C6H9NO.C6H9NS/c1-6-7(2)9(4)10(5)8(6)3;1-5-6(2)8(4)10-9-7(5)3;4*1-5-6(2)9(4)7(3)8-5;2*1-4-5(2)8-6(3)7-4/h1-5H3;1-4H3;4*1-4H3;2*1-3H3
InChIKeyNMAMRCMDSIKIFX-UHFFFAOYSA-N
MW1008.53 g/mol
LogP13.02
Rot. Bonds

About 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole

1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159819378) has the molecular formula C57H93N13OS and a molecular weight of 1008.53 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
PubChem CID159819378
Molecular FormulaC57H93N13OS
Molecular Weight1008.53 g/mol
Exact Mass1007.73
IUPAC Name1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
SMILESCc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nnc(C)c(C)c1C
InChIInChI=1S/C9H15N.C8H12N2.4C7H12N2.C6H9NO.C6H9NS/c1-6-7(2)9(4)10(5)8(6)3;1-5-6(2)8(4)10-9-7(5)3;4*1-5-6(2)9(4)7(3)8-5;2*1-4-5(2)8-6(3)7-4/h1-5H3;1-4H3;4*1-4H3;2*1-3H3
InChIKeyNMAMRCMDSIKIFX-UHFFFAOYSA-N
XLogP13.02
TPSA140.91 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.53
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole with MolForge

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Related Compounds

1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole
CID 159531703
1,2,3,4,5-pentamethylpyrrole;bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;tris(1,3,4,5-tetramethylpyrazole);2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole
CID 159270733
1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4,5-pentamethylpyrrole;tris(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 161232679
bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)
CID 158899225
tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)
CID 159056156
methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole
CID 162176123
azane;platinum(2+);2,4,5-trimethyl-1,3-oxazole;dichloride
CID 10222212
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine;4,5,6-trimethyl-2-propan-2-ylpyrimidine;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
CID 158183942
2-(deuteriomethyl)-1,4,5-trimethylimidazole
CID 59970458
2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;methane
CID 162096671
1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole
CID 160751082
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;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 167595365

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole (CID 159819378) is 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole is Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nnc(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is NMAMRCMDSIKIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C8H12N2.4C7H12N2.C6H9NO.C6H9NS/c1-6-7(2)9(4)10(5)8(6)3;1-5-6(2)8(4)10-9-7(5)3;4*1-5-6(2)9(4)7(3)8-5;2*1-4-5(2)8-6(3)7-4/h1-5H3;1-4H3;4*1-4H3;2*1-3H3.
What are the key properties of 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 1008.53 g/mol, XLogP of 13.02, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159819378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).