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

C24H23N3OS2 — CID 117088807

IUPACN-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(-c3cccs3)sc2c1
InChIInChI=1S/C24H23N3OS2/c28-23(25-19-10-12-27(13-11-19)16-17-5-2-1-3-6-17)18-8-9-20-22(15-18)30-24(26-20)21-7-4-14-29-21/h1-9,14-15,19H,10-13,16H2,(H,25,28)
InChIKeyNZQLJPZCDLHGCD-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.42
Rot. Bonds5

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

N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 117088807) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
PubChem CID117088807
Molecular FormulaC24H23N3OS2
Molecular Weight433.60 g/mol
Exact Mass433.13
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(-c3cccs3)sc2c1
InChIInChI=1S/C24H23N3OS2/c28-23(25-19-10-12-27(13-11-19)16-17-5-2-1-3-6-17)18-8-9-20-22(15-18)30-24(26-20)21-7-4-14-29-21/h1-9,14-15,19H,10-13,16H2,(H,25,28)
InChIKeyNZQLJPZCDLHGCD-UHFFFAOYSA-N
XLogP5.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 134797827
N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117083358
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
CID 117084306
2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 71843452
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015
N-(1-benzylpiperidin-4-yl)-2-methyl-8-thiophen-2-ylquinoline-4-carboxamide
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N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 47073484
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
2-[(1-benzylpiperidin-4-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117083071
N-(1-benzylpiperidin-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 2814953

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide (CID 117088807) is N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(-c3cccs3)sc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is NZQLJPZCDLHGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS2/c28-23(25-19-10-12-27(13-11-19)16-17-5-2-1-3-6-17)18-8-9-20-22(15-18)30-24(26-20)21-7-4-14-29-21/h1-9,14-15,19H,10-13,16H2,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117088807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).