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

C20H32N4OS2 — CID 158633352

IUPAC2-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
SMILESCC(C)c1nccs1.CCc1nnc(C(C)C)s1.Cc1cc(C(C)C)no1
InChIInChI=1S/C7H12N2S.C7H11NO.C6H9NS/c1-4-6-8-9-7(10-6)5(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6/h5H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyHZLQULMCDFSFJZ-UHFFFAOYSA-N
MW408.64 g/mol
LogP6.60
Rot. Bonds4

About 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

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 (PubChem CID 158633352) has the molecular formula C20H32N4OS2 and a molecular weight of 408.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158633352
Molecular FormulaC20H32N4OS2
Molecular Weight408.64 g/mol
Exact Mass408.20
IUPAC Name2-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
SMILESCC(C)c1nccs1.CCc1nnc(C(C)C)s1.Cc1cc(C(C)C)no1
InChIInChI=1S/C7H12N2S.C7H11NO.C6H9NS/c1-4-6-8-9-7(10-6)5(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6/h5H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyHZLQULMCDFSFJZ-UHFFFAOYSA-N
XLogP6.60
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.64
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
CID 137487930
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
Ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
CID 158441344
Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
CID 158504821
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
4,6-Dimethyl-2-propan-2-ylpyrimidine;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 159278713
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
4-Tert-butyl-1-(1-fluoroethyl)pyrazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 160018774
5-Tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole;propane;2,2,6,6-tetramethylheptane-3,5-dione
CID 160190906

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nccs1.CCc1nnc(C(C)C)s1.Cc1cc(C(C)C)no1.
What is the InChIKey of 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?
The InChIKey is HZLQULMCDFSFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C7H11NO.C6H9NS/c1-4-6-8-9-7(10-6)5(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6/h5H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 408.64 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158633352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).