5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole

C19H25N3OS — CID 86771142

IUPAC5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2ncc(CN3CCC(C4CCOCC4)CC3)s2)c1
InChIInChI=1S/C19H25N3OS/c1-2-17(12-20-7-1)19-21-13-18(24-19)14-22-8-3-15(4-9-22)16-5-10-23-11-6-16/h1-2,7,12-13,15-16H,3-6,8-11,14H2
InChIKeyLGEBONNNVGOHBI-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.84
Rot. Bonds4

About 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole

5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 86771142) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID86771142
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2ncc(CN3CCC(C4CCOCC4)CC3)s2)c1
InChIInChI=1S/C19H25N3OS/c1-2-17(12-20-7-1)19-21-13-18(24-19)14-22-8-3-15(4-9-22)16-5-10-23-11-6-16/h1-2,7,12-13,15-16H,3-6,8-11,14H2
InChIKeyLGEBONNNVGOHBI-UHFFFAOYSA-N
XLogP3.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole (CID 86771142) is 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole is c1cncc(-c2ncc(CN3CCC(C4CCOCC4)CC3)s2)c1.
What is the InChIKey of 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is LGEBONNNVGOHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-17(12-20-7-1)19-21-13-18(24-19)14-22-8-3-15(4-9-22)16-5-10-23-11-6-16/h1-2,7,12-13,15-16H,3-6,8-11,14H2.
What are the key properties of 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole?
5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 343.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 86771142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).