N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

C17H18F3N3OS — CID 71882352

IUPACN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)11-2-1-7-23(9-11)16(24)21-12-5-6-13-14(8-12)25-15(22-13)10-3-4-10/h5-6,8,10-11H,1-4,7,9H2,(H,21,24)
InChIKeyFIKJMHKYHKWNQH-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.98
Rot. Bonds2

About N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 71882352) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID71882352
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)11-2-1-7-23(9-11)16(24)21-12-5-6-13-14(8-12)25-15(22-13)10-3-4-10/h5-6,8,10-11H,1-4,7,9H2,(H,21,24)
InChIKeyFIKJMHKYHKWNQH-UHFFFAOYSA-N
XLogP4.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
CID 177333253
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide
CID 128749827
methyl 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]benzoate
CID 29133366
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 97286184
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137036839
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 51099308

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (CID 71882352) is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is FIKJMHKYHKWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c18-17(19,20)11-2-1-7-23(9-11)16(24)21-12-5-6-13-14(8-12)25-15(22-13)10-3-4-10/h5-6,8,10-11H,1-4,7,9H2,(H,21,24).
What are the key properties of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71882352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).