2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole

C17H18N4OS — CID 136563195

IUPAC2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole
SMILESc1ccc(-c2nc(CN3CCC(c4ncco4)CC3)cs2)nc1
InChIInChI=1S/C17H18N4OS/c1-2-6-18-15(3-1)17-20-14(12-23-17)11-21-8-4-13(5-9-21)16-19-7-10-22-16/h1-3,6-7,10,12-13H,4-5,8-9,11H2
InChIKeyBRYDVUYSCDOVJO-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.57
Rot. Bonds4

About 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole

2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole (PubChem CID 136563195) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole
PubChem CID136563195
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole
SMILESc1ccc(-c2nc(CN3CCC(c4ncco4)CC3)cs2)nc1
InChIInChI=1S/C17H18N4OS/c1-2-6-18-15(3-1)17-20-14(12-23-17)11-21-8-4-13(5-9-21)16-19-7-10-22-16/h1-3,6-7,10,12-13H,4-5,8-9,11H2
InChIKeyBRYDVUYSCDOVJO-UHFFFAOYSA-N
XLogP3.57
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole (CID 136563195) is 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole is c1ccc(-c2nc(CN3CCC(c4ncco4)CC3)cs2)nc1.
What is the InChIKey of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole?
The InChIKey is BRYDVUYSCDOVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-6-18-15(3-1)17-20-14(12-23-17)11-21-8-4-13(5-9-21)16-19-7-10-22-16/h1-3,6-7,10,12-13H,4-5,8-9,11H2.
What are the key properties of 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole?
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole has a molecular weight of 326.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 136563195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).