3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide

C23H27N3OS — CID 119461907

IUPAC3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide
SMILESCC(Cc1nc2ccccc2s1)(C(=O)NCC1CCCNC1)c1ccccc1
InChIInChI=1S/C23H27N3OS/c1-23(18-9-3-2-4-10-18,22(27)25-16-17-8-7-13-24-15-17)14-21-26-19-11-5-6-12-20(19)28-21/h2-6,9-12,17,24H,7-8,13-16H2,1H3,(H,25,27)
InChIKeyDEAUSJIPHHQMRG-UHFFFAOYSA-N
MW393.56 g/mol
LogP3.91
Rot. Bonds6

About 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide

3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 119461907) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide
PubChem CID119461907
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide
SMILESCC(Cc1nc2ccccc2s1)(C(=O)NCC1CCCNC1)c1ccccc1
InChIInChI=1S/C23H27N3OS/c1-23(18-9-3-2-4-10-18,22(27)25-16-17-8-7-13-24-15-17)14-21-26-19-11-5-6-12-20(19)28-21/h2-6,9-12,17,24H,7-8,13-16H2,1H3,(H,25,27)
InChIKeyDEAUSJIPHHQMRG-UHFFFAOYSA-N
XLogP3.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide 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

3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119426384
3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide
CID 110883737
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80553613
N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
CID 119476436
N-(4-aminocyclohexyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide;dihydrochloride
CID 119476435
(2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid
CID 7129648
2-ethyl-2-phenyl-N-(piperidin-3-ylmethyl)butanamide
CID 119461637
(2R)-2-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]propanoic acid
CID 119243708
N-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide
CID 60617359
5-(1,3-benzothiazol-2-yl)-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 119463481
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-pyridin-4-ylpropanamide
CID 43072482
(2S)-3-(1,3-benzothiazol-2-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 32890787

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide (CID 119461907) is 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide is CC(Cc1nc2ccccc2s1)(C(=O)NCC1CCCNC1)c1ccccc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is DEAUSJIPHHQMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-23(18-9-3-2-4-10-18,22(27)25-16-17-8-7-13-24-15-17)14-21-26-19-11-5-6-12-20(19)28-21/h2-6,9-12,17,24H,7-8,13-16H2,1H3,(H,25,27).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide?
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 393.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 119461907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).