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

C32H61N5OS2 — CID 160977134

IUPACethane;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
SMILESCC.CC.CC.CC.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C6H9NO.2C6H9NS.4C2H6/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
InChIKeySZACJASNKSHZFE-UHFFFAOYSA-N
MW596.01 g/mol
LogP11.90
Rot. Bonds4

About 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

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 (PubChem CID 160977134) has the molecular formula C32H61N5OS2 and a molecular weight of 596.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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 CID160977134
Molecular FormulaC32H61N5OS2
Molecular Weight596.01 g/mol
Exact Mass595.43
IUPAC Nameethane;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
SMILESCC.CC.CC.CC.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C6H9NO.2C6H9NS.4C2H6/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
InChIKeySZACJASNKSHZFE-UHFFFAOYSA-N
XLogP11.90
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.01
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1.
What is the InChIKey of 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?
The InChIKey is SZACJASNKSHZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C6H9NO.2C6H9NS.4C2H6/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.
What are the key properties of 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?
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 has a molecular weight of 596.01 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160977134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).