2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole

C15H17F3N2OS — CID 133342919

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
SMILESCOCC1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1
InChIInChI=1S/C15H17F3N2OS/c1-21-9-10-4-6-20(7-5-10)14-19-12-8-11(15(16,17)18)2-3-13(12)22-14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyHQGHNPVWFGLJDS-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.18
Rot. Bonds3

About 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole

2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 133342919) has the molecular formula C15H17F3N2OS and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
PubChem CID133342919
Molecular FormulaC15H17F3N2OS
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
SMILESCOCC1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1
InChIInChI=1S/C15H17F3N2OS/c1-21-9-10-4-6-20(7-5-10)14-19-12-8-11(15(16,17)18)2-3-13(12)22-14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyHQGHNPVWFGLJDS-UHFFFAOYSA-N
XLogP4.18
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133318192
methyl 2-hydroxy-2-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetate
CID 133398933
N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
CID 71996631
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133320724
4-ethyl-3-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]-1H-1,2,4-triazole-5-thione
CID 133321439
N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
CID 133318977
N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide
CID 133321824
2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133320162
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 121108415
ethyl 3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxylate
CID 133387200
5-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
CID 164933931
1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121109364

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole (CID 133342919) is 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole is COCC1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is HQGHNPVWFGLJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2OS/c1-21-9-10-4-6-20(7-5-10)14-19-12-8-11(15(16,17)18)2-3-13(12)22-14/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole?
2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 330.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 133342919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).