N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide

C25H23N5O2S — CID 87110779

IUPACN-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCOc1ncccc1-c1ccc2nc(NC(=O)N3CCC(=Cc4ccccn4)CC3)sc2c1
InChIInChI=1S/C25H23N5O2S/c1-32-23-20(6-4-12-27-23)18-7-8-21-22(16-18)33-24(28-21)29-25(31)30-13-9-17(10-14-30)15-19-5-2-3-11-26-19/h2-8,11-12,15-16H,9-10,13-14H2,1H3,(H,28,29,31)
InChIKeyQCNTZBLPYLZCOC-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.47
Rot. Bonds4

About N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide

N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (PubChem CID 87110779) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
PubChem CID87110779
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCOc1ncccc1-c1ccc2nc(NC(=O)N3CCC(=Cc4ccccn4)CC3)sc2c1
InChIInChI=1S/C25H23N5O2S/c1-32-23-20(6-4-12-27-23)18-7-8-21-22(16-18)33-24(28-21)29-25(31)30-13-9-17(10-14-30)15-19-5-2-3-11-26-19/h2-8,11-12,15-16H,9-10,13-14H2,1H3,(H,28,29,31)
InChIKeyQCNTZBLPYLZCOC-UHFFFAOYSA-N
XLogP5.47
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 87111156
N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 158437458
N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 87111091
1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655731
N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368793
tert-butyl 4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 91443709
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 88910072
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594547

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The IUPAC name of N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (CID 87110779) is N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.
What is the SMILES notation for N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The canonical SMILES for N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is COc1ncccc1-c1ccc2nc(NC(=O)N3CCC(=Cc4ccccn4)CC3)sc2c1.
What is the InChIKey of N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The InChIKey is QCNTZBLPYLZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-32-23-20(6-4-12-27-23)18-7-8-21-22(16-18)33-24(28-21)29-25(31)30-13-9-17(10-14-30)15-19-5-2-3-11-26-19/h2-8,11-12,15-16H,9-10,13-14H2,1H3,(H,28,29,31).
What are the key properties of N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is sourced from PubChem (CID 87110779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).