2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole

C17H17N3OS — CID 164634305

IUPAC2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1cncc([C@H]2CCN(Cc3csc(-c4ccco4)n3)C2)c1
InChIInChI=1S/C17H17N3OS/c1-3-13(9-18-6-1)14-5-7-20(10-14)11-15-12-22-17(19-15)16-4-2-8-21-16/h1-4,6,8-9,12,14H,5,7,10-11H2/t14-/m0/s1
InChIKeyJTNZLKPBIACPDA-AWEZNQCLSA-N
MW311.41 g/mol
LogP3.79
Rot. Bonds4

About 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole

2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 164634305) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID164634305
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1cncc([C@H]2CCN(Cc3csc(-c4ccco4)n3)C2)c1
InChIInChI=1S/C17H17N3OS/c1-3-13(9-18-6-1)14-5-7-20(10-14)11-15-12-22-17(19-15)16-4-2-8-21-16/h1-4,6,8-9,12,14H,5,7,10-11H2/t14-/m0/s1
InChIKeyJTNZLKPBIACPDA-AWEZNQCLSA-N
XLogP3.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole (CID 164634305) is 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole is c1cncc([C@H]2CCN(Cc3csc(-c4ccco4)n3)C2)c1.
What is the InChIKey of 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is JTNZLKPBIACPDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-13(9-18-6-1)14-5-7-20(10-14)11-15-12-22-17(19-15)16-4-2-8-21-16/h1-4,6,8-9,12,14H,5,7,10-11H2/t14-/m0/s1.
What are the key properties of 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 311.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 164634305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).