5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole

C18H17ClN2OS — CID 175248232

IUPAC5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole
SMILESClc1ccc(OC2CCN(c3ccc4scnc4c3)CC2)cc1
InChIInChI=1S/C18H17ClN2OS/c19-13-1-4-15(5-2-13)22-16-7-9-21(10-8-16)14-3-6-18-17(11-14)20-12-23-18/h1-6,11-12,16H,7-10H2
InChIKeyBUOGJKVSYATINZ-UHFFFAOYSA-N
MW344.87 g/mol
LogP5.00
Rot. Bonds3

About 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole

5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 175248232) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole
PubChem CID175248232
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole
SMILESClc1ccc(OC2CCN(c3ccc4scnc4c3)CC2)cc1
InChIInChI=1S/C18H17ClN2OS/c19-13-1-4-15(5-2-13)22-16-7-9-21(10-8-16)14-3-6-18-17(11-14)20-12-23-18/h1-6,11-12,16H,7-10H2
InChIKeyBUOGJKVSYATINZ-UHFFFAOYSA-N
XLogP5.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-piperidin-4-yloxy-1,3-benzothiazole
CID 84697896
6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-5-ol
CID 91404096
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67275779
2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
CID 70873529
2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde
CID 88880056
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277713
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
5-chloro-2-methoxy-4-[4-[4-(3-methylpyrrolidin-1-yl)phenoxy]piperidin-1-yl]pyridine
CID 134405112
[1-(1,3-benzothiazol-6-yl)pyrrolidin-3-yl]methanol
CID 107806610
1-(1,3-benzothiazol-5-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508876
4-[4-[6-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]oxypiperidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 90075684

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole (CID 175248232) is 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole is Clc1ccc(OC2CCN(c3ccc4scnc4c3)CC2)cc1.
What is the InChIKey of 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is BUOGJKVSYATINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c19-13-1-4-15(5-2-13)22-16-7-9-21(10-8-16)14-3-6-18-17(11-14)20-12-23-18/h1-6,11-12,16H,7-10H2.
What are the key properties of 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole?
5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 344.87 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenoxy)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 175248232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).