1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone

C15H15F3N2OS — CID 163319853

IUPAC1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone
SMILESO=C(Cc1nc2ccc(C(F)(F)F)cc2s1)N1CCCCC1
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)10-4-5-11-12(8-10)22-13(19-11)9-14(21)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2
InChIKeyPZMQSCRTRNZHHQ-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.87
Rot. Bonds2

About 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone

1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone (PubChem CID 163319853) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone
PubChem CID163319853
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone
SMILESO=C(Cc1nc2ccc(C(F)(F)F)cc2s1)N1CCCCC1
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)10-4-5-11-12(8-10)22-13(19-11)9-14(21)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2
InChIKeyPZMQSCRTRNZHHQ-UHFFFAOYSA-N
XLogP3.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantyl)-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-2-one
CID 159648220
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 164533318
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
1-(1,3-dihydroisoindol-2-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)ethanone
CID 58470633
2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
CID 60694052
(3S)-3-(hydroxymethyl)-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxylic acid
CID 149432438
1-methyl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea
CID 146255562
3-(1,3-benzothiazol-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 17465876
2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470149
2-[2-amino-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 82007821
1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone (CID 163319853) is 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone is O=C(Cc1nc2ccc(C(F)(F)F)cc2s1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone?
The InChIKey is PZMQSCRTRNZHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c16-15(17,18)10-4-5-11-12(8-10)22-13(19-11)9-14(21)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone?
1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone has a molecular weight of 328.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanone is sourced from PubChem (CID 163319853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).