ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

C33H65N5OS2 — CID 159794624

IUPACethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
SMILESC.CC.CC.CC.CC.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C6H9NO.2C6H9NS.4C2H6.CH4/c1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;4*1-2;/h3-6H,1-2H3;3*3-5H,1-2H3;4*1-2H3;1H4
InChIKeyNIZWNVMGAXMNKD-UHFFFAOYSA-N
MW612.05 g/mol
LogP12.54
Rot. Bonds4

About ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (PubChem CID 159794624) has the molecular formula C33H65N5OS2 and a molecular weight of 612.05 g/mol. Its IUPAC name is ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
PubChem CID159794624
Molecular FormulaC33H65N5OS2
Molecular Weight612.05 g/mol
Exact Mass611.46
IUPAC Nameethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
SMILESC.CC.CC.CC.CC.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C6H9NO.2C6H9NS.4C2H6.CH4/c1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;4*1-2;/h3-6H,1-2H3;3*3-5H,1-2H3;4*1-2H3;1H4
InChIKeyNIZWNVMGAXMNKD-UHFFFAOYSA-N
XLogP12.54
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.05
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

Bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole
CID 157058322
4-Propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 160663902
Ethane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 160977134
Methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 161607932
Bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,4-dimethyl-1,3-thiazole)
CID 161659640

Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The IUPAC name of ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (CID 159794624) is ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is C.CC.CC.CC.CC.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1.
What is the InChIKey of ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
The InChIKey is NIZWNVMGAXMNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C6H9NO.2C6H9NS.4C2H6.CH4/c1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;4*1-2;/h3-6H,1-2H3;3*3-5H,1-2H3;4*1-2H3;1H4.
What are the key properties of ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?
ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole has a molecular weight of 612.05 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159794624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).