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

C19H20F3N5OS — CID 166203538

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H20F3N5OS/c1-12(17-24-14-4-2-3-5-15(14)29-17)23-18(28)26-9-6-13(7-10-26)27-11-8-16(25-27)19(20,21)22/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,23,28)
InChIKeyRYEWQDNXBIJDCX-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.62
Rot. Bonds3

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

N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 166203538) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID166203538
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H20F3N5OS/c1-12(17-24-14-4-2-3-5-15(14)29-17)23-18(28)26-9-6-13(7-10-26)27-11-8-16(25-27)19(20,21)22/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,23,28)
InChIKeyRYEWQDNXBIJDCX-UHFFFAOYSA-N
XLogP4.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(1,3-benzothiazol-2-yl)ethyl]-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

6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151011958
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-[(1-methylpyrazol-4-yl)methylamino]propanamide
CID 124111854
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
2-(1-Methylpyrazol-3-yl)-1,3-benzothiazole
CID 2740137
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 166203538) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1nc2ccccc2s1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is RYEWQDNXBIJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-12(17-24-14-4-2-3-5-15(14)29-17)23-18(28)26-9-6-13(7-10-26)27-11-8-16(25-27)19(20,21)22/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,23,28).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 166203538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).