N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide

C23H29N3O2S — CID 16945692

IUPACN-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCCC3C(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C23H29N3O2S/c1-14-7-9-17(10-8-14)21(27)25-23-24-20-18(5-4-6-19(20)29-23)22(28)26-12-15(2)11-16(3)13-26/h7-10,15-16,18H,4-6,11-13H2,1-3H3,(H,24,25,27)
InChIKeyXYDHTIHDDOEYKT-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.63
Rot. Bonds3

About N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide

N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide (PubChem CID 16945692) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
PubChem CID16945692
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCCC3C(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C23H29N3O2S/c1-14-7-9-17(10-8-14)21(27)25-23-24-20-18(5-4-6-19(20)29-23)22(28)26-12-15(2)11-16(3)13-26/h7-10,15-16,18H,4-6,11-13H2,1-3H3,(H,24,25,27)
InChIKeyXYDHTIHDDOEYKT-UHFFFAOYSA-N
XLogP4.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide with MolForge

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Related Compounds

N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methoxybenzamide
CID 16945534
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945530
N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 16945699
4-methoxy-N-[(4R)-4-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 40926677
2-[(4-methylbenzoyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945800
ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate
CID 16947500
2-[(4-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945730
1-[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl]piperidine-4-carboxamide
CID 16945671
N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide
CID 16947503
N-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945756
N-butyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945709
(4R)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946217

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide (CID 16945692) is N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3C(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide?
The InChIKey is XYDHTIHDDOEYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-14-7-9-17(10-8-14)21(27)25-23-24-20-18(5-4-6-19(20)29-23)22(28)26-12-15(2)11-16(3)13-26/h7-10,15-16,18H,4-6,11-13H2,1-3H3,(H,24,25,27).
What are the key properties of N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide?
N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide has a molecular weight of 411.57 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 16945692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).