2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine

C18H19N3OS — CID 57448305

IUPAC2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(Oc3ccc(CN4CCCCC4)cc3)nc2cn1
InChIInChI=1S/C18H19N3OS/c1-2-10-21(11-3-1)13-14-4-6-15(7-5-14)22-18-20-16-12-19-9-8-17(16)23-18/h4-9,12H,1-3,10-11,13H2
InChIKeyDNRBWXQTMZJQIJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.47
Rot. Bonds4

About 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine

2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 57448305) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID57448305
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(Oc3ccc(CN4CCCCC4)cc3)nc2cn1
InChIInChI=1S/C18H19N3OS/c1-2-10-21(11-3-1)13-14-4-6-15(7-5-14)22-18-20-16-12-19-9-8-17(16)23-18/h4-9,12H,1-3,10-11,13H2
InChIKeyDNRBWXQTMZJQIJ-UHFFFAOYSA-N
XLogP4.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
2-[4-(Piperidin-1-ylmethyl)phenoxy]-1,3-benzothiazole
CID 11472798
1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-ol
CID 11473281
1-[[4-([1,3]Thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 44481854
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44481856
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methoxypyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482694
2-(1,4''-Bipiperidin-1''-yl)-6-(3-methoxyphenyl)thiazolo[4,5-c]pyridine
CID 45482774
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine
CID 57448310
2-(2-Phenoxypyridin-3-Yl)[1,3]thiazolo[5,4-C]pyridine
CID 121231473
8-[(1-Benzylpiperidin-4-yl)methoxy]-3-methyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 44592283
8-[(1-Benzylpiperidin-4-yl)methoxy]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 44592284
5-((1-(4-Methoxybenzyl)piperidin-4-yl)methyloxy)pyrrolo (1,2-a)thieno(3,2-e)pyrazine
CID 90666002

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine (CID 57448305) is 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine is c1cc2sc(Oc3ccc(CN4CCCCC4)cc3)nc2cn1.
What is the InChIKey of 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is DNRBWXQTMZJQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-10-21(11-3-1)13-14-4-6-15(7-5-14)22-18-20-16-12-19-9-8-17(16)23-18/h4-9,12H,1-3,10-11,13H2.
What are the key properties of 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 325.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 57448305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).