N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide

C20H21N3OS — CID 46261514

IUPACN-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1
InChIInChI=1S/C20H21N3OS/c1-14-5-8-16(9-6-14)21-19(24)15-7-10-17-18(13-15)25-20(22-17)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,21,24)
InChIKeyZFIBIXVKELXQCO-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.85
Rot. Bonds3

About N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide

N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 46261514) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
PubChem CID46261514
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1
InChIInChI=1S/C20H21N3OS/c1-14-5-8-16(9-6-14)21-19(24)15-7-10-17-18(13-15)25-20(22-17)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,21,24)
InChIKeyZFIBIXVKELXQCO-UHFFFAOYSA-N
XLogP4.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylphenyl)-2-piperidin-1-yl-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

N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 57412024
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
1-(4-methylphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112807733
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599696
3-(propylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42319130
4-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599690
4-(pyrazol-1-ylmethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599697
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide (CID 46261514) is N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide is Cc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZFIBIXVKELXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-5-8-16(9-6-14)21-19(24)15-7-10-17-18(13-15)25-20(22-17)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,21,24).
What are the key properties of N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 46261514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).