methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate

C21H23N3O4S — CID 16947024

IUPACmethyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCc3sc(NC(=O)c4ccccc4)nc32)CC1
InChIInChI=1S/C21H23N3O4S/c1-28-20(27)14-9-11-24(12-10-14)19(26)15-7-8-16-17(15)22-21(29-16)23-18(25)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,22,23,25)
InChIKeyFARFXLXBQAEAOI-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.84
Rot. Bonds4

About methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate

methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 16947024) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID16947024
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Namemethyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCc3sc(NC(=O)c4ccccc4)nc32)CC1
InChIInChI=1S/C21H23N3O4S/c1-28-20(27)14-9-11-24(12-10-14)19(26)15-7-8-16-17(15)22-21(29-16)23-18(25)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,22,23,25)
InChIKeyFARFXLXBQAEAOI-UHFFFAOYSA-N
XLogP2.84
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate with MolForge

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Related Compounds

N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide
CID 16947503
1-[2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16947324
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
1-[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl]piperidine-4-carboxamide
CID 16945671
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945530
2-benzamido-N-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947039
4-methoxy-N-[(4R)-4-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 40926677
ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate
CID 16947500
N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 11386306
4-fluoro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
CID 16947196
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-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methoxybenzamide
CID 16945534

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate (CID 16947024) is methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2CCc3sc(NC(=O)c4ccccc4)nc32)CC1.
What is the InChIKey of methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is FARFXLXBQAEAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-28-20(27)14-9-11-24(12-10-14)19(26)15-7-8-16-17(15)22-21(29-16)23-18(25)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,22,23,25).
What are the key properties of methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 413.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 16947024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).