4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

C22H27N3O3S — CID 16945530

IUPAC4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)CCCC3C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C22H27N3O3S/c1-14-10-12-25(13-11-14)21(27)17-4-3-5-18-19(17)23-22(29-18)24-20(26)15-6-8-16(28-2)9-7-15/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,23,24,26)
InChIKeyYGDHLXVMJAALDX-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.08
Rot. Bonds4

About 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (PubChem CID 16945530) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
PubChem CID16945530
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)CCCC3C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C22H27N3O3S/c1-14-10-12-25(13-11-14)21(27)17-4-3-5-18-19(17)23-22(29-18)24-20(26)15-6-8-16(28-2)9-7-15/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,23,24,26)
InChIKeyYGDHLXVMJAALDX-UHFFFAOYSA-N
XLogP4.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 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-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methoxybenzamide
CID 16945534
1-[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl]piperidine-4-carboxamide
CID 16945671
4-methoxy-N-[(4R)-4-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 40926677
4-methoxy-N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945669
N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 16945692
4-methoxy-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945668
N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 11386306
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methoxybenzamide
CID 16945586
methyl 4-[[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl]amino]benzoate
CID 16945610
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945568
methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate
CID 16947024
N-benzyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945565

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (CID 16945530) is 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc3c(s2)CCCC3C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is YGDHLXVMJAALDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-14-10-12-25(13-11-14)21(27)17-4-3-5-18-19(17)23-22(29-18)24-20(26)15-6-8-16(28-2)9-7-15/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,23,24,26).
What are the key properties of 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 413.54 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 16945530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).