N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide

C16H22F3N3OS — CID 166272488

IUPACN-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C(F)(F)F)CC1)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H22F3N3OS/c1-10(14-21-12-4-2-3-5-13(12)24-14)20-15(23)22-8-6-11(7-9-22)16(17,18)19/h10-11H,2-9H2,1H3,(H,20,23)
InChIKeyFUWGRBVFIUSUBR-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.07
Rot. Bonds2

About N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide

N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 166272488) has the molecular formula C16H22F3N3OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID166272488
Molecular FormulaC16H22F3N3OS
Molecular Weight361.43 g/mol
Exact Mass361.14
IUPAC NameN-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C(F)(F)F)CC1)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H22F3N3OS/c1-10(14-21-12-4-2-3-5-13(12)24-14)20-15(23)22-8-6-11(7-9-22)16(17,18)19/h10-11H,2-9H2,1H3,(H,20,23)
InChIKeyFUWGRBVFIUSUBR-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 166272488) is N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is CC(NC(=O)N1CCC(C(F)(F)F)CC1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is FUWGRBVFIUSUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3OS/c1-10(14-21-12-4-2-3-5-13(12)24-14)20-15(23)22-8-6-11(7-9-22)16(17,18)19/h10-11H,2-9H2,1H3,(H,20,23).
What are the key properties of N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 166272488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).