piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone

C23H27N3OS — CID 71936735

IUPACpiperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone
SMILESCC(C)c1nc2ccc(NCc3cccc(C(=O)N4CCCCC4)c3)cc2s1
InChIInChI=1S/C23H27N3OS/c1-16(2)22-25-20-10-9-19(14-21(20)28-22)24-15-17-7-6-8-18(13-17)23(27)26-11-4-3-5-12-26/h6-10,13-14,16,24H,3-5,11-12,15H2,1-2H3
InChIKeySMKPYUFKSQRHNI-UHFFFAOYSA-N
MW393.56 g/mol
LogP5.66
Rot. Bonds5

About piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone

piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone (PubChem CID 71936735) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone
PubChem CID71936735
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Namepiperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone
SMILESCC(C)c1nc2ccc(NCc3cccc(C(=O)N4CCCCC4)c3)cc2s1
InChIInChI=1S/C23H27N3OS/c1-16(2)22-25-20-10-9-19(14-21(20)28-22)24-15-17-7-6-8-18(13-17)23(27)26-11-4-3-5-12-26/h6-10,13-14,16,24H,3-5,11-12,15H2,1-2H3
InChIKeySMKPYUFKSQRHNI-UHFFFAOYSA-N
XLogP5.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone 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-fluoro-4-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]benzoic acid
CID 134584568
[3-[[(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 126780332
5-(1,3-benzothiazol-2-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 55693389
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682648
N,N-dimethyl-3-[[2-[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]acetyl]amino]benzamide
CID 60593198
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone?
The IUPAC name of piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone (CID 71936735) is piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone is CC(C)c1nc2ccc(NCc3cccc(C(=O)N4CCCCC4)c3)cc2s1.
What is the InChIKey of piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone?
The InChIKey is SMKPYUFKSQRHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-16(2)22-25-20-10-9-19(14-21(20)28-22)24-15-17-7-6-8-18(13-17)23(27)26-11-4-3-5-12-26/h6-10,13-14,16,24H,3-5,11-12,15H2,1-2H3.
What are the key properties of piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone?
piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone has a molecular weight of 393.56 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)amino]methyl]phenyl]methanone is sourced from PubChem (CID 71936735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).