methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole

C55H90N4S3 — CID 162176123

IUPACmethane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole
SMILESC.C.C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/3C10H15N.2C8H12S.C6H9NS.3CH4/c3*1-6-7(2)9(4)11-10(5)8(6)3;2*1-5-6(2)8(4)9-7(5)3;1-4-5(2)8-6(3)7-4;;;/h3*1-5H3;2*1-4H3;1-3H3;3*1H4
InChIKeyZOKPCJHWSNCCRM-UHFFFAOYSA-N
MW903.55 g/mol
LogP17.81
Rot. Bonds

About methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole

methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole (PubChem CID 162176123) has the molecular formula C55H90N4S3 and a molecular weight of 903.55 g/mol. Its IUPAC name is methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Namemethane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole
PubChem CID162176123
Molecular FormulaC55H90N4S3
Molecular Weight903.55 g/mol
Exact Mass902.63
IUPAC Namemethane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole
SMILESC.C.C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/3C10H15N.2C8H12S.C6H9NS.3CH4/c3*1-6-7(2)9(4)11-10(5)8(6)3;2*1-5-6(2)8(4)9-7(5)3;1-4-5(2)8-6(3)7-4;;;/h3*1-5H3;2*1-4H3;1-3H3;3*1H4
InChIKeyZOKPCJHWSNCCRM-UHFFFAOYSA-N
XLogP17.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.55
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tris(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;tris(2,4,5,6-tetramethylpyrimidine);bis(2,3,4,5-tetramethylthiophene)
CID 162065658
2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;4,5,6,7-tetramethyl-2,1,3-benzothiadiazole;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole
CID 158525464
2,3,4,5-tetramethylthiophene
CID 162080525
2,3,4,5-tetramethyl-6-(3,4,5-trimethylthiophen-2-yl)pyridine
CID 58827692
ethane;2,3,4,5-tetramethylthiophene
CID 90998829
tris(2,3,4,5,6-pentamethylpyridine);tris(2,4,5,6-tetramethylpyrimidine)
CID 157180275
4,5-dimethyl-1,3-thiazol-2-amine bromide
CID 21234862
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
5-chloro-2,4-dimethyl-1,3-thiazole
CID 20719823
tris(2,3,4,5,6-pentamethylpyridine);2,3,5,6-tetramethylpyrazine;tris(2,4,5,6-tetramethylpyrimidine)
CID 159315646
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
(2,5-dimethyl-1,3-thiazol-4-yl)stannane
CID 174608722

Frequently Asked Questions

What is the IUPAC name of methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole (CID 162176123) is methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole is C.C.C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C.
What is the InChIKey of methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole?
The InChIKey is ZOKPCJHWSNCCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H15N.2C8H12S.C6H9NS.3CH4/c3*1-6-7(2)9(4)11-10(5)8(6)3;2*1-5-6(2)8(4)9-7(5)3;1-4-5(2)8-6(3)7-4;;;/h3*1-5H3;2*1-4H3;1-3H3;3*1H4.
What are the key properties of methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole?
methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole has a molecular weight of 903.55 g/mol, XLogP of 17.81, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(2,3,4,5,6-pentamethylpyridine);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 162176123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).