3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C22H25N3O2S — CID 30182510

IUPAC3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C22H25N3O2S/c26-21(12-10-19-9-11-20(27-19)17-7-3-1-4-8-17)24-22-23-18(16-28-22)15-25-13-5-2-6-14-25/h1,3-4,7-9,11,16H,2,5-6,10,12-15H2,(H,23,24,26)
InChIKeyLJCWWVZHRNKUPV-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.96
Rot. Bonds7

About 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 30182510) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID30182510
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C22H25N3O2S/c26-21(12-10-19-9-11-20(27-19)17-7-3-1-4-8-17)24-22-23-18(16-28-22)15-25-13-5-2-6-14-25/h1,3-4,7-9,11,16H,2,5-6,10,12-15H2,(H,23,24,26)
InChIKeyLJCWWVZHRNKUPV-UHFFFAOYSA-N
XLogP4.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 30182510) is 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LJCWWVZHRNKUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-21(12-10-19-9-11-20(27-19)17-7-3-1-4-8-17)24-22-23-18(16-28-22)15-25-13-5-2-6-14-25/h1,3-4,7-9,11,16H,2,5-6,10,12-15H2,(H,23,24,26).
What are the key properties of 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 395.53 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30182510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).