1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C17H19N5O3S2 — CID 20856408

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)nc12
InChIInChI=1S/C17H19N5O3S2/c1-11-3-2-4-13-15(11)20-17(26-13)21-16(23)12-5-7-22(8-6-12)27(24,25)14-9-18-10-19-14/h2-4,9-10,12H,5-8H2,1H3,(H,18,19)(H,20,21,23)
InChIKeyYZEBBTTWGBVVRB-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.37
Rot. Bonds4

About 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 20856408) has the molecular formula C17H19N5O3S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID20856408
Molecular FormulaC17H19N5O3S2
Molecular Weight405.51 g/mol
Exact Mass405.09
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)nc12
InChIInChI=1S/C17H19N5O3S2/c1-11-3-2-4-13-15(11)20-17(26-13)21-16(23)12-5-7-22(8-6-12)27(24,25)14-9-18-10-19-14/h2-4,9-10,12H,5-8H2,1H3,(H,18,19)(H,20,21,23)
InChIKeyYZEBBTTWGBVVRB-UHFFFAOYSA-N
XLogP2.37
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856425
1-(1H-imidazol-5-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 20856442
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16831616
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828311
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828556
N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2640846
N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826294
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830554
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831778
N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856435
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831696
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828220

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 20856408) is 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)nc12.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YZEBBTTWGBVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S2/c1-11-3-2-4-13-15(11)20-17(26-13)21-16(23)12-5-7-22(8-6-12)27(24,25)14-9-18-10-19-14/h2-4,9-10,12H,5-8H2,1H3,(H,18,19)(H,20,21,23).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20856408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).