5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole

C24H45N3OS2 — CID 161215550

IUPAC5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.CC(C)c1nccs1.CCc1cnc(C(C)C)s1.Cc1cc(C(C)C)no1
InChIInChI=1S/C8H13NS.C7H11NO.C6H9NS.3CH4/c1-4-7-5-9-8(10-7)6(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6;;;/h5-6H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3*1H4
InChIKeyUWURNVLBZBJGPG-UHFFFAOYSA-N
MW455.78 g/mol
LogP9.11
Rot. Bonds4

About 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole

5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole (PubChem CID 161215550) has the molecular formula C24H45N3OS2 and a molecular weight of 455.78 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
PubChem CID161215550
Molecular FormulaC24H45N3OS2
Molecular Weight455.78 g/mol
Exact Mass455.30
IUPAC Name5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.CC(C)c1nccs1.CCc1cnc(C(C)C)s1.Cc1cc(C(C)C)no1
InChIInChI=1S/C8H13NS.C7H11NO.C6H9NS.3CH4/c1-4-7-5-9-8(10-7)6(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6;;;/h5-6H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3*1H4
InChIKeyUWURNVLBZBJGPG-UHFFFAOYSA-N
XLogP9.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.78
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124757468
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 128991723
3-Propan-2-yl-5-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 154891009
3-Ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole
CID 167896105
3-Propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
CID 137487930
Bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1,3-thiazole
CID 143923976
3,5-Ditert-butyl-1-methylpyrazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole;methane;2,2,6,6-tetramethylheptane-3,5-dione
CID 157527864
Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
CID 158504821
2-Ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 158633352
ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 158683768
2-Methyl-1-(1,2-oxazol-5-yl)propan-1-one;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 159042422
4-Methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
CID 159876471

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole (CID 161215550) is 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole is C.C.C.CC(C)c1nccs1.CCc1cnc(C(C)C)s1.Cc1cc(C(C)C)no1.
What is the InChIKey of 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is UWURNVLBZBJGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS.C7H11NO.C6H9NS.3CH4/c1-4-7-5-9-8(10-7)6(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6;;;/h5-6H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3*1H4.
What are the key properties of 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 455.78 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161215550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).