2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole

C15H21NOS — CID 134480983

IUPAC2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole
SMILESCC(C)(CCC(C)(C)c1nccs1)c1ccco1
InChIInChI=1S/C15H21NOS/c1-14(2,12-6-5-10-17-12)7-8-15(3,4)13-16-9-11-18-13/h5-6,9-11H,7-8H2,1-4H3
InChIKeyHHRFVJBUKIYQQS-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.77
Rot. Bonds5

About 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole

2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole (PubChem CID 134480983) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole
PubChem CID134480983
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole
SMILESCC(C)(CCC(C)(C)c1nccs1)c1ccco1
InChIInChI=1S/C15H21NOS/c1-14(2,12-6-5-10-17-12)7-8-15(3,4)13-16-9-11-18-13/h5-6,9-11H,7-8H2,1-4H3
InChIKeyHHRFVJBUKIYQQS-UHFFFAOYSA-N
XLogP4.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole (CID 134480983) is 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole is CC(C)(CCC(C)(C)c1nccs1)c1ccco1.
What is the InChIKey of 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole?
The InChIKey is HHRFVJBUKIYQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-14(2,12-6-5-10-17-12)7-8-15(3,4)13-16-9-11-18-13/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole?
2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole has a molecular weight of 263.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-2,5-dimethylhexan-2-yl]-1,3-thiazole is sourced from PubChem (CID 134480983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).