4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole

C12H14N2OS — CID 62541252

IUPAC4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1coc(-c2csc(C3CCNCC3)n2)c1
InChIInChI=1S/C12H14N2OS/c1-2-11(15-7-1)10-8-16-12(14-10)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2
InChIKeyBJAZYUQWWGNZMF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.87
Rot. Bonds2

About 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole

4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 62541252) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID62541252
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1coc(-c2csc(C3CCNCC3)n2)c1
InChIInChI=1S/C12H14N2OS/c1-2-11(15-7-1)10-8-16-12(14-10)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2
InChIKeyBJAZYUQWWGNZMF-UHFFFAOYSA-N
XLogP2.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole (CID 62541252) is 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole is c1coc(-c2csc(C3CCNCC3)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is BJAZYUQWWGNZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-11(15-7-1)10-8-16-12(14-10)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2.
What are the key properties of 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole?
4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 234.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 62541252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).