3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide

C18H26F3N3OS — CID 126799277

IUPAC3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCC(c2nc3c(s2)CCCC3)C1)C(F)(F)F
InChIInChI=1S/C18H26F3N3OS/c1-17(2,18(19,20)21)11-22-16(25)24-9-5-6-12(10-24)15-23-13-7-3-4-8-14(13)26-15/h12H,3-11H2,1-2H3,(H,22,25)
InChIKeyUZEOCSDJVMXBGW-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.50
Rot. Bonds3

About 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide

3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide (PubChem CID 126799277) has the molecular formula C18H26F3N3OS and a molecular weight of 389.49 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide
PubChem CID126799277
Molecular FormulaC18H26F3N3OS
Molecular Weight389.49 g/mol
Exact Mass389.17
IUPAC Name3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCC(c2nc3c(s2)CCCC3)C1)C(F)(F)F
InChIInChI=1S/C18H26F3N3OS/c1-17(2,18(19,20)21)11-22-16(25)24-9-5-6-12(10-24)15-23-13-7-3-4-8-14(13)26-15/h12H,3-11H2,1-2H3,(H,22,25)
InChIKeyUZEOCSDJVMXBGW-UHFFFAOYSA-N
XLogP4.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide (CID 126799277) is 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide is CC(C)(CNC(=O)N1CCCC(c2nc3c(s2)CCCC3)C1)C(F)(F)F.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide?
The InChIKey is UZEOCSDJVMXBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3OS/c1-17(2,18(19,20)21)11-22-16(25)24-9-5-6-12(10-24)15-23-13-7-3-4-8-14(13)26-15/h12H,3-11H2,1-2H3,(H,22,25).
What are the key properties of 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide?
3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide has a molecular weight of 389.49 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 126799277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).