N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide

C17H18N4OS — CID 75418516

IUPACN-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C17H18N4OS/c22-17(19-16-18-14-5-1-2-6-15(14)23-16)21-11-7-13(8-12-21)20-9-3-4-10-20/h1-6,9-10,13H,7-8,11-12H2,(H,18,19,22)
InChIKeyFXJDAJJMFMAGLF-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.97
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide (PubChem CID 75418516) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
PubChem CID75418516
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C17H18N4OS/c22-17(19-16-18-14-5-1-2-6-15(14)23-16)21-11-7-13(8-12-21)20-9-3-4-10-20/h1-6,9-10,13H,7-8,11-12H2,(H,18,19,22)
InChIKeyFXJDAJJMFMAGLF-UHFFFAOYSA-N
XLogP3.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 51324893
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119047498
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
4-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboxamide
CID 171422794
(2S)-N-(1,3-benzothiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 99817572
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 30269694

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide (CID 75418516) is N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide is O=C(Nc1nc2ccccc2s1)N1CCC(n2cccc2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide?
The InChIKey is FXJDAJJMFMAGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-17(19-16-18-14-5-1-2-6-15(14)23-16)21-11-7-13(8-12-21)20-9-3-4-10-20/h1-6,9-10,13H,7-8,11-12H2,(H,18,19,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 75418516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).