2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole

C17H27NOS — CID 161031877

IUPAC2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1ccco1.CC(C)(C)Cc1nccs1
InChIInChI=1S/C9H14O.C8H13NS/c1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6-7-9-4-5-10-7/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3
InChIKeyTZSNCSNOTQJHCW-UHFFFAOYSA-N
MW293.48 g/mol
LogP5.60
Rot. Bonds2

About 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole

2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 161031877) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole
PubChem CID161031877
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1ccco1.CC(C)(C)Cc1nccs1
InChIInChI=1S/C9H14O.C8H13NS/c1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6-7-9-4-5-10-7/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3
InChIKeyTZSNCSNOTQJHCW-UHFFFAOYSA-N
XLogP5.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole (CID 161031877) is 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)(C)Cc1ccco1.CC(C)(C)Cc1nccs1.
What is the InChIKey of 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is TZSNCSNOTQJHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C8H13NS/c1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6-7-9-4-5-10-7/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole?
2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 293.48 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 161031877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).