1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide

C15H18FN3OS — CID 90609454

IUPAC1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C15H18FN3OS/c1-18(2)14(20)10-6-8-19(9-7-10)15-17-13-11(16)4-3-5-12(13)21-15/h3-5,10H,6-9H2,1-2H3
InChIKeyFLRRMIJCAXNXRT-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.74
Rot. Bonds2

About 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide

1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 90609454) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID90609454
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C15H18FN3OS/c1-18(2)14(20)10-6-8-19(9-7-10)15-17-13-11(16)4-3-5-12(13)21-15/h3-5,10H,6-9H2,1-2H3
InChIKeyFLRRMIJCAXNXRT-UHFFFAOYSA-N
XLogP2.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609574
N-cyclopentyl-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609496
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 7539562
N-(4-acetylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609556
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 90609534
N-(4-ethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609531
N-(cyclohexylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609612
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 90609512
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90609540
N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328849
1-[1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carbonyl]piperidine-4-carboxamide
CID 90604387

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide (CID 90609454) is 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2nc3c(F)cccc3s2)CC1.
What is the InChIKey of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is FLRRMIJCAXNXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-18(2)14(20)10-6-8-19(9-7-10)15-17-13-11(16)4-3-5-12(13)21-15/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 90609454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).