4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine

C17H23N5OS — CID 74245493

IUPAC4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESc1cc(C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)ncn1
InChIInChI=1S/C17H23N5OS/c1-2-14(16-3-4-18-13-20-16)11-21(5-1)12-15-10-19-17(24-15)22-6-8-23-9-7-22/h3-4,10,13-14H,1-2,5-9,11-12H2
InChIKeyJAKAGBOQRKWMKN-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.15
Rot. Bonds4

About 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine

4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 74245493) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID74245493
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESc1cc(C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)ncn1
InChIInChI=1S/C17H23N5OS/c1-2-14(16-3-4-18-13-20-16)11-21(5-1)12-15-10-19-17(24-15)22-6-8-23-9-7-22/h3-4,10,13-14H,1-2,5-9,11-12H2
InChIKeyJAKAGBOQRKWMKN-UHFFFAOYSA-N
XLogP2.15
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine (CID 74245493) is 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine is c1cc(C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)ncn1.
What is the InChIKey of 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is JAKAGBOQRKWMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-2-14(16-3-4-18-13-20-16)11-21(5-1)12-15-10-19-17(24-15)22-6-8-23-9-7-22/h3-4,10,13-14H,1-2,5-9,11-12H2.
What are the key properties of 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 345.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 74245493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).