2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole

C18H19N3OS — CID 162737709

IUPAC2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole
SMILESc1cc(OCc2nc3ccccc3s2)nc(C2CCNCC2)c1
InChIInChI=1S/C18H19N3OS/c1-2-6-16-15(4-1)21-18(23-16)12-22-17-7-3-5-14(20-17)13-8-10-19-11-9-13/h1-7,13,19H,8-12H2
InChIKeySRJAGVGEMOLVHM-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.74
Rot. Bonds4

About 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole

2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole (PubChem CID 162737709) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole
PubChem CID162737709
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole
SMILESc1cc(OCc2nc3ccccc3s2)nc(C2CCNCC2)c1
InChIInChI=1S/C18H19N3OS/c1-2-6-16-15(4-1)21-18(23-16)12-22-17-7-3-5-14(20-17)13-8-10-19-11-9-13/h1-7,13,19H,8-12H2
InChIKeySRJAGVGEMOLVHM-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 175576427
2-(2-pyrrolidin-3-ylethoxymethyl)-1,3-benzothiazole
CID 114795968
2-[(3-fluoro-4-pyridinyl)methoxy]-6-piperidin-4-ylpyridine
CID 167093520
7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 167020774
2-piperidin-4-yl-6-[[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]methoxy]pyridine
CID 178135409
2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline
CID 104630915
7-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 175587743
2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-one
CID 50956105
2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine
CID 175227564
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
CID 113218110
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900

Frequently Asked Questions

What is the IUPAC name of 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole?
The IUPAC name of 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole (CID 162737709) is 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole is c1cc(OCc2nc3ccccc3s2)nc(C2CCNCC2)c1.
What is the InChIKey of 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole?
The InChIKey is SRJAGVGEMOLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-6-16-15(4-1)21-18(23-16)12-22-17-7-3-5-14(20-17)13-8-10-19-11-9-13/h1-7,13,19H,8-12H2.
What are the key properties of 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole?
2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole has a molecular weight of 325.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]-1,3-benzothiazole is sourced from PubChem (CID 162737709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).