N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C19H16F3N3OS — CID 90610246

IUPACN-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C19H16F3N3OS/c20-12-3-6-16-17(8-12)27-19(24-16)25-7-1-2-11(10-25)18(26)23-13-4-5-14(21)15(22)9-13/h3-6,8-9,11H,1-2,7,10H2,(H,23,26)
InChIKeyRPRKHIRQUXLTCB-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.57
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 90610246) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID90610246
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C19H16F3N3OS/c20-12-3-6-16-17(8-12)27-19(24-16)25-7-1-2-11(10-25)18(26)23-13-4-5-14(21)15(22)9-13/h3-6,8-9,11H,1-2,7,10H2,(H,23,26)
InChIKeyRPRKHIRQUXLTCB-UHFFFAOYSA-N
XLogP4.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611763
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610219
1-(1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610037
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90610267
N-(4-bromo-3-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611787
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 166602759
(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
CID 121128463

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 90610246) is N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCCN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is RPRKHIRQUXLTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c20-12-3-6-16-17(8-12)27-19(24-16)25-7-1-2-11(10-25)18(26)23-13-4-5-14(21)15(22)9-13/h3-6,8-9,11H,1-2,7,10H2,(H,23,26).
What are the key properties of N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90610246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).