N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide

C20H19F3N4OS — CID 133318977

IUPACN-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)nc1
InChIInChI=1S/C20H19F3N4OS/c1-12-2-5-17(24-11-12)26-18(28)13-6-8-27(9-7-13)19-25-15-10-14(20(21,22)23)3-4-16(15)29-19/h2-5,10-11,13H,6-9H2,1H3,(H,24,26,28)
InChIKeyIXFSWLBVVHZLHV-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.87
Rot. Bonds3

About N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide (PubChem CID 133318977) has the molecular formula C20H19F3N4OS and a molecular weight of 420.46 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
PubChem CID133318977
Molecular FormulaC20H19F3N4OS
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC NameN-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)nc1
InChIInChI=1S/C20H19F3N4OS/c1-12-2-5-17(24-11-12)26-18(28)13-6-8-27(9-7-13)19-25-15-10-14(20(21,22)23)3-4-16(15)29-19/h2-5,10-11,13H,6-9H2,1H3,(H,24,26,28)
InChIKeyIXFSWLBVVHZLHV-UHFFFAOYSA-N
XLogP4.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
CID 71996631
N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide
CID 133321824
methyl 2-hydroxy-2-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetate
CID 133398933
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133318192
N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 163357177
2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133342919
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone
CID 86797984
ethyl 3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxylate
CID 133387200
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone
CID 133319033

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide (CID 133318977) is N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is IXFSWLBVVHZLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4OS/c1-12-2-5-17(24-11-12)26-18(28)13-6-8-27(9-7-13)19-25-15-10-14(20(21,22)23)3-4-16(15)29-19/h2-5,10-11,13H,6-9H2,1H3,(H,24,26,28).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 133318977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).