N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide

C14H15F2N3OS — CID 162345703

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2nc3c(F)cc(F)cc3s2)C1
InChIInChI=1S/C14H15F2N3OS/c1-19-4-2-3-8(7-19)13(20)18-14-17-12-10(16)5-9(15)6-11(12)21-14/h5-6,8H,2-4,7H2,1H3,(H,17,18,20)
InChIKeySWOHPBHPHNHKNF-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.85
Rot. Bonds2

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide (PubChem CID 162345703) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide
PubChem CID162345703
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2nc3c(F)cc(F)cc3s2)C1
InChIInChI=1S/C14H15F2N3OS/c1-19-4-2-3-8(7-19)13(20)18-14-17-12-10(16)5-9(15)6-11(12)21-14/h5-6,8H,2-4,7H2,1H3,(H,17,18,20)
InChIKeySWOHPBHPHNHKNF-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-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-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide (CID 162345703) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)Nc2nc3c(F)cc(F)cc3s2)C1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide?
The InChIKey is SWOHPBHPHNHKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-19-4-2-3-8(7-19)13(20)18-14-17-12-10(16)5-9(15)6-11(12)21-14/h5-6,8H,2-4,7H2,1H3,(H,17,18,20).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 162345703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).