4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine

C16H21N3OS — CID 171691387

IUPAC4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
SMILESc1ccc2sc(N3CCC(N4CCOCC4)CC3)nc2c1
InChIInChI=1S/C16H21N3OS/c1-2-4-15-14(3-1)17-16(21-15)19-7-5-13(6-8-19)18-9-11-20-12-10-18/h1-4,13H,5-12H2
InChIKeyPKWGBQLMQATAOA-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.60
Rot. Bonds2

About 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine

4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine (PubChem CID 171691387) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
PubChem CID171691387
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
SMILESc1ccc2sc(N3CCC(N4CCOCC4)CC3)nc2c1
InChIInChI=1S/C16H21N3OS/c1-2-4-15-14(3-1)17-16(21-15)19-7-5-13(6-8-19)18-9-11-20-12-10-18/h1-4,13H,5-12H2
InChIKeyPKWGBQLMQATAOA-UHFFFAOYSA-N
XLogP2.60
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-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

Related Compounds

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172881655
4-[1-(4-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900775
4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900508
2-[4-(2,3,4,5,6-pentafluorophenyl)piperidin-1-yl]-1,3-benzothiazole
CID 175245982
3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 56810040
4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691424
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
6-ethyl-2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 172901090

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine (CID 171691387) is 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine is c1ccc2sc(N3CCC(N4CCOCC4)CC3)nc2c1.
What is the InChIKey of 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine?
The InChIKey is PKWGBQLMQATAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-4-15-14(3-1)17-16(21-15)19-7-5-13(6-8-19)18-9-11-20-12-10-18/h1-4,13H,5-12H2.
What are the key properties of 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine?
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine has a molecular weight of 303.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 171691387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).