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2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene

C40H64N2OS2 — CID 158871641

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1
InChIInChI=1S/C11H17N.C10H16O.C10H16S.C9H15NS/c1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h5-9H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3
InChIKeyJBXMHFVECCLSRS-UHFFFAOYSA-N
MW653.10 g/mol
LogP14.24
Rot. Bonds8

About 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene

2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene (PubChem CID 158871641) has the molecular formula C40H64N2OS2 and a molecular weight of 653.10 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
PubChem CID158871641
Molecular FormulaC40H64N2OS2
Molecular Weight653.10 g/mol
Exact Mass652.45
IUPAC Name2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1
InChIInChI=1S/C11H17N.C10H16O.C10H16S.C9H15NS/c1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h5-9H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3
InChIKeyJBXMHFVECCLSRS-UHFFFAOYSA-N
XLogP14.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.10
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene?
The IUPAC name of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene (CID 158871641) is 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene is CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.
What is the InChIKey of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene?
The InChIKey is JBXMHFVECCLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H16O.C10H16S.C9H15NS/c1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h5-9H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene?
2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene has a molecular weight of 653.10 g/mol, XLogP of 14.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 158871641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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