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

C20H19F2N3OS — CID 90611763

IUPACN-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCCC(C(=O)Nc4ccc(F)c(F)c4)C3)sc2c1
InChIInChI=1S/C20H19F2N3OS/c1-12-4-7-17-18(9-12)27-20(24-17)25-8-2-3-13(11-25)19(26)23-14-5-6-15(21)16(22)10-14/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,23,26)
InChIKeyIXNBZIFDMITCKA-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.74
Rot. Bonds3

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

N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 90611763) has the molecular formula C20H19F2N3OS and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID90611763
Molecular FormulaC20H19F2N3OS
Molecular Weight387.46 g/mol
Exact Mass387.12
IUPAC NameN-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCCC(C(=O)Nc4ccc(F)c(F)c4)C3)sc2c1
InChIInChI=1S/C20H19F2N3OS/c1-12-4-7-17-18(9-12)27-20(24-17)25-8-2-3-13(11-25)19(26)23-14-5-6-15(21)16(22)10-14/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,23,26)
InChIKeyIXNBZIFDMITCKA-UHFFFAOYSA-N
XLogP4.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610246
N-(4-bromo-3-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611787
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 90611645
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methylphenyl)piperidine-3-carboxamide
CID 90611939
1-(1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610037
N-(2-methoxy-5-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611784
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90610267
N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610219
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 90611763) is N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is Cc1ccc2nc(N3CCCC(C(=O)Nc4ccc(F)c(F)c4)C3)sc2c1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is IXNBZIFDMITCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3OS/c1-12-4-7-17-18(9-12)27-20(24-17)25-8-2-3-13(11-25)19(26)23-14-5-6-15(21)16(22)10-14/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,23,26).
What are the key properties of N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.74, 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-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90611763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).