N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide

C24H24N6OS — CID 117083358

IUPACN-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(Nc3ccncn3)sc2c1
InChIInChI=1S/C24H24N6OS/c31-23(27-19-9-12-30(13-10-19)15-17-4-2-1-3-5-17)18-6-7-20-21(14-18)32-24(28-20)29-22-8-11-25-16-26-22/h1-8,11,14,16,19H,9-10,12-13,15H2,(H,27,31)(H,25,26,28,29)
InChIKeyZINOGKDVWORIQQ-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.22
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide

N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide (PubChem CID 117083358) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide
PubChem CID117083358
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(Nc3ccncn3)sc2c1
InChIInChI=1S/C24H24N6OS/c31-23(27-19-9-12-30(13-10-19)15-17-4-2-1-3-5-17)18-6-7-20-21(14-18)32-24(28-20)29-22-8-11-25-16-26-22/h1-8,11,14,16,19H,9-10,12-13,15H2,(H,27,31)(H,25,26,28,29)
InChIKeyZINOGKDVWORIQQ-UHFFFAOYSA-N
XLogP4.22
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
CID 117084306
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
CID 117088807
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
CID 4159999
2-[(1-benzylpiperidin-4-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117083071
2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 71843452
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088236
N-(1-benzylpiperidin-4-yl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783567
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide (CID 117083358) is N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(Nc3ccncn3)sc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZINOGKDVWORIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS/c31-23(27-19-9-12-30(13-10-19)15-17-4-2-1-3-5-17)18-6-7-20-21(14-18)32-24(28-20)29-22-8-11-25-16-26-22/h1-8,11,14,16,19H,9-10,12-13,15H2,(H,27,31)(H,25,26,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117083358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).