2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole

C33H55N5O2S — CID 159120662

IUPAC2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn(C)c1.Cc1cc(CC(C)C)no1.Cc1cc(CC(C)C)on1.Cc1nc(C)c(CC(C)C)s1
InChIInChI=1S/C9H15NS.C8H14N2.2C8H13NO/c1-6(2)5-9-7(3)10-8(4)11-9;1-7(2)4-8-5-9-10(3)6-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-8-5-7(3)9-10-8/h6H,5H2,1-4H3;5-7H,4H2,1-3H3;2*5-6H,4H2,1-3H3
InChIKeyKFQQMFVQGLNYRF-UHFFFAOYSA-N
MW585.90 g/mol
LogP8.94
Rot. Bonds8

About 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole

2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole (PubChem CID 159120662) has the molecular formula C33H55N5O2S and a molecular weight of 585.90 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole
PubChem CID159120662
Molecular FormulaC33H55N5O2S
Molecular Weight585.90 g/mol
Exact Mass585.41
IUPAC Name2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn(C)c1.Cc1cc(CC(C)C)no1.Cc1cc(CC(C)C)on1.Cc1nc(C)c(CC(C)C)s1
InChIInChI=1S/C9H15NS.C8H14N2.2C8H13NO/c1-6(2)5-9-7(3)10-8(4)11-9;1-7(2)4-8-5-9-10(3)6-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-8-5-7(3)9-10-8/h6H,5H2,1-4H3;5-7H,4H2,1-3H3;2*5-6H,4H2,1-3H3
InChIKeyKFQQMFVQGLNYRF-UHFFFAOYSA-N
XLogP8.94
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.90
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[[1-[(5-Methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 149133159
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(1,3-dimethyl-5-propan-2-ylpyrazole);3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158477238
5-Tert-butylcyclohex-2-en-1-one;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 158524691
methane;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158621478
1-(Difluoromethyl)-3-propan-2-ylpyrazole;2-fluoro-5-propan-2-ylthiophene;3-methyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 159080378
4-Methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole
CID 159606204
2,4-Dimethyl-5-(2-methylpropyl)-1,3-oxazole;2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 160005449
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
Methane;3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 160246480
3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 160586930

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole?
The IUPAC name of 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole (CID 159120662) is 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole is CC(C)Cc1cnn(C)c1.Cc1cc(CC(C)C)no1.Cc1cc(CC(C)C)on1.Cc1nc(C)c(CC(C)C)s1.
What is the InChIKey of 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole?
The InChIKey is KFQQMFVQGLNYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.C8H14N2.2C8H13NO/c1-6(2)5-9-7(3)10-8(4)11-9;1-7(2)4-8-5-9-10(3)6-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-8-5-7(3)9-10-8/h6H,5H2,1-4H3;5-7H,4H2,1-3H3;2*5-6H,4H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole?
2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole has a molecular weight of 585.90 g/mol, XLogP of 8.94, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 159120662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).