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

C18H24N4OS — CID 138014697

IUPAC4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine
SMILESc1cncc(-c2csc(N3CCC[C@@H](CN4CCOCC4)C3)n2)c1
InChIInChI=1S/C18H24N4OS/c1-4-16(11-19-5-1)17-14-24-18(20-17)22-6-2-3-15(13-22)12-21-7-9-23-10-8-21/h1,4-5,11,14-15H,2-3,6-10,12-13H2/t15-/m0/s1
InChIKeyVRMLZFKFLKFQRR-HNNXBMFYSA-N
MW344.48 g/mol
LogP2.75
Rot. Bonds4

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

4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 138014697) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine
PubChem CID138014697
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine
SMILESc1cncc(-c2csc(N3CCC[C@@H](CN4CCOCC4)C3)n2)c1
InChIInChI=1S/C18H24N4OS/c1-4-16(11-19-5-1)17-14-24-18(20-17)22-6-2-3-15(13-22)12-21-7-9-23-10-8-21/h1,4-5,11,14-15H,2-3,6-10,12-13H2/t15-/m0/s1
InChIKeyVRMLZFKFLKFQRR-HNNXBMFYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine (CID 138014697) is 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine is c1cncc(-c2csc(N3CCC[C@@H](CN4CCOCC4)C3)n2)c1.
What is the InChIKey of 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is VRMLZFKFLKFQRR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-4-16(11-19-5-1)17-14-24-18(20-17)22-6-2-3-15(13-22)12-21-7-9-23-10-8-21/h1,4-5,11,14-15H,2-3,6-10,12-13H2/t15-/m0/s1.
What are the key properties of 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine?
4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 344.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 138014697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).