N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C18H18F3N5OS — CID 146087969

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H18F3N5OS/c19-18(20,21)15-7-10-26(24-15)12-5-8-25(9-6-12)17(27)22-11-16-23-13-3-1-2-4-14(13)28-16/h1-4,7,10,12H,5-6,8-9,11H2,(H,22,27)
InChIKeyGXQFJHQZQKKICS-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.06
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 146087969) has the molecular formula C18H18F3N5OS and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID146087969
Molecular FormulaC18H18F3N5OS
Molecular Weight409.44 g/mol
Exact Mass409.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H18F3N5OS/c19-18(20,21)15-7-10-26(24-15)12-5-8-25(9-6-12)17(27)22-11-16-23-13-3-1-2-4-14(13)28-16/h1-4,7,10,12H,5-6,8-9,11H2,(H,22,27)
InChIKeyGXQFJHQZQKKICS-UHFFFAOYSA-N
XLogP4.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-Benzothiazol-2-ylmethyl)-2-(pyrazol-1-ylmethyl)morpholine
CID 53559210
5-(1,3-benzothiazol-2-yl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
CID 134612199
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-3-(phenylthio)propanamide
CID 30868523
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(4-fluorobenzo[d]thiazol-2-yl)pentanamide
CID 30868560
(4-(4,6-difluorobenzo[d]thiazol-2-yl)piperazin-1-yl)(1-ethyl-1H-pyrazol-3-yl)methanone
CID 42138594
N-(1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]acetamide
CID 30868274
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(benzo[d]thiazol-2-yl)-2-(phenylthio)acetamide
CID 30868361
(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)(benzo[d]thiazol-2-yl)methanone
CID 52906710
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(6-fluorobenzo[d]thiazol-2-yl)propionamide
CID 30461647
6-fluoro-N-[2-(1H-pyrazol-1-yl)ethyl]-1,3-benzothiazol-2-amine
CID 45496460
2-{4-[4-(1H-pyrazol-1-yl)butanoyl]-1,4-diazepan-1-yl}-1,3-benzothiazole
CID 90649106
(2S)-1-(1,3-benzothiazol-2-yl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229652

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 146087969) is N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is O=C(NCc1nc2ccccc2s1)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is GXQFJHQZQKKICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5OS/c19-18(20,21)15-7-10-26(24-15)12-5-8-25(9-6-12)17(27)22-11-16-23-13-3-1-2-4-14(13)28-16/h1-4,7,10,12H,5-6,8-9,11H2,(H,22,27).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 146087969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).