N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide

C15H16F3N3OS — CID 133321824

IUPACN-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc3cc(C(F)(F)F)ccc3s2)C1
InChIInChI=1S/C15H16F3N3OS/c1-19-13(22)9-3-2-6-21(8-9)14-20-11-7-10(15(16,17)18)4-5-12(11)23-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,19,22)
InChIKeySRMDYISAWZNTDE-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.28
Rot. Bonds2

About N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide

N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide (PubChem CID 133321824) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide
PubChem CID133321824
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc3cc(C(F)(F)F)ccc3s2)C1
InChIInChI=1S/C15H16F3N3OS/c1-19-13(22)9-3-2-6-21(8-9)14-20-11-7-10(15(16,17)18)4-5-12(11)23-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,19,22)
InChIKeySRMDYISAWZNTDE-UHFFFAOYSA-N
XLogP3.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-3-carboxamide
CID 166605852
N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
CID 71996631
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610219
5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 100758069
methyl 2-hydroxy-2-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetate
CID 133398933
cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone
CID 86797984
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133318192
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92667739
N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
CID 133318977
1-(1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610037
2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133320302
2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133342919

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide (CID 133321824) is N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide is CNC(=O)C1CCCN(c2nc3cc(C(F)(F)F)ccc3s2)C1.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is SRMDYISAWZNTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-19-13(22)9-3-2-6-21(8-9)14-20-11-7-10(15(16,17)18)4-5-12(11)23-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,19,22).
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide?
N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 133321824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).