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

C16H22F3N3OS — CID 166279687

IUPACN-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1CCc2nc(CNC(=O)N3CCC(C(F)(F)F)CC3)sc2C1
InChIInChI=1S/C16H22F3N3OS/c1-10-2-3-12-13(8-10)24-14(21-12)9-20-15(23)22-6-4-11(5-7-22)16(17,18)19/h10-11H,2-9H2,1H3,(H,20,23)
InChIKeyMADHAYXJYIDEON-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.75
Rot. Bonds2

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

N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 166279687) has the molecular formula C16H22F3N3OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID166279687
Molecular FormulaC16H22F3N3OS
Molecular Weight361.43 g/mol
Exact Mass361.14
IUPAC NameN-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1CCc2nc(CNC(=O)N3CCC(C(F)(F)F)CC3)sc2C1
InChIInChI=1S/C16H22F3N3OS/c1-10-2-3-12-13(8-10)24-14(21-12)9-20-15(23)22-6-4-11(5-7-22)16(17,18)19/h10-11H,2-9H2,1H3,(H,20,23)
InChIKeyMADHAYXJYIDEON-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 166279687) is N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide is CC1CCc2nc(CNC(=O)N3CCC(C(F)(F)F)CC3)sc2C1.
What is the InChIKey of N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is MADHAYXJYIDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3OS/c1-10-2-3-12-13(8-10)24-14(21-12)9-20-15(23)22-6-4-11(5-7-22)16(17,18)19/h10-11H,2-9H2,1H3,(H,20,23).
What are the key properties of N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 166279687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).