N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide

C15H20F3N3OS — CID 166255666

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCc1nc2c(s1)CCCC2)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)10-5-7-21(8-6-10)14(22)19-9-13-20-11-3-1-2-4-12(11)23-13/h10H,1-9H2,(H,19,22)
InChIKeyOYORNKHMICWLFD-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.51
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 166255666) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID166255666
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCc1nc2c(s1)CCCC2)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)10-5-7-21(8-6-10)14(22)19-9-13-20-11-3-1-2-4-12(11)23-13/h10H,1-9H2,(H,19,22)
InChIKeyOYORNKHMICWLFD-UHFFFAOYSA-N
XLogP3.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 166255666) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(NCc1nc2c(s1)CCCC2)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is OYORNKHMICWLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3OS/c16-15(17,18)10-5-7-21(8-6-10)14(22)19-9-13-20-11-3-1-2-4-12(11)23-13/h10H,1-9H2,(H,19,22).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 166255666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).