2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene

C34H73NS2 — CID 159820055

IUPAC2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene
SMILESC.C.C.C.C.C.C.CCC.CCCCC.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1csc(C)n1
InChIInChI=1S/C8H10.C6H8S.C5H7NS.C5H12.C3H8.7CH4/c1-7-3-5-8(2)6-4-7;1-5-3-4-6(2)7-5;1-4-3-7-5(2)6-4;1-3-5-4-2;1-3-2;;;;;;;/h3-6H,1-2H3;3-4H,1-2H3;3H,1-2H3;3-5H2,1-2H3;3H2,1-2H3;7*1H4
InChIKeyNMCQXIOBHWTFLX-UHFFFAOYSA-N
MW560.10 g/mol
LogP14.49
Rot. Bonds2

About 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene

2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene (PubChem CID 159820055) has the molecular formula C34H73NS2 and a molecular weight of 560.10 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene
PubChem CID159820055
Molecular FormulaC34H73NS2
Molecular Weight560.10 g/mol
Exact Mass559.52
IUPAC Name2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene
SMILESC.C.C.C.C.C.C.CCC.CCCCC.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1csc(C)n1
InChIInChI=1S/C8H10.C6H8S.C5H7NS.C5H12.C3H8.7CH4/c1-7-3-5-8(2)6-4-7;1-5-3-4-6(2)7-5;1-4-3-7-5(2)6-4;1-3-5-4-2;1-3-2;;;;;;;/h3-6H,1-2H3;3-4H,1-2H3;3H,1-2H3;3-5H2,1-2H3;3H2,1-2H3;7*1H4
InChIKeyNMCQXIOBHWTFLX-UHFFFAOYSA-N
XLogP14.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.10
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene (CID 159820055) is 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene is C.C.C.C.C.C.C.CCC.CCCCC.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1csc(C)n1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene?
The InChIKey is NMCQXIOBHWTFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H8S.C5H7NS.C5H12.C3H8.7CH4/c1-7-3-5-8(2)6-4-7;1-5-3-4-6(2)7-5;1-4-3-7-5(2)6-4;1-3-5-4-2;1-3-2;;;;;;;/h3-6H,1-2H3;3-4H,1-2H3;3H,1-2H3;3-5H2,1-2H3;3H2,1-2H3;7*1H4.
What are the key properties of 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene?
2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene has a molecular weight of 560.10 g/mol, XLogP of 14.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene is sourced from PubChem (CID 159820055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).