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

C23H27N3O4S — CID 16947500

IUPACethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCc3sc(NC(=O)c4ccc(C)cc4)nc32)C1
InChIInChI=1S/C23H27N3O4S/c1-3-30-22(29)16-5-4-12-26(13-16)21(28)17-10-11-18-19(17)24-23(31-18)25-20(27)15-8-6-14(2)7-9-15/h6-9,16-17H,3-5,10-13H2,1-2H3,(H,24,25,27)
InChIKeyASGNPTCDOKJCIR-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.54
Rot. Bonds5

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

ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate (PubChem CID 16947500) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate
PubChem CID16947500
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Nameethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCc3sc(NC(=O)c4ccc(C)cc4)nc32)C1
InChIInChI=1S/C23H27N3O4S/c1-3-30-22(29)16-5-4-12-26(13-16)21(28)17-10-11-18-19(17)24-23(31-18)25-20(27)15-8-6-14(2)7-9-15/h6-9,16-17H,3-5,10-13H2,1-2H3,(H,24,25,27)
InChIKeyASGNPTCDOKJCIR-UHFFFAOYSA-N
XLogP3.54
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate 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-methylbenzamide
CID 16945692
N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide
CID 16947503
(4R)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40946217
ethyl 4-[(4R)-2-(1,3-benzodioxole-5-carbonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperazine-1-carboxylate
CID 40946274
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
1-[2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16947324
ethyl 4-[[2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl]amino]benzoate
CID 16945769
1-[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl]piperidine-4-carboxamide
CID 16945671
ethyl 1-[7-oxo-2-(thiophene-3-carbonylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]piperidine-3-carboxylate
CID 45175359
N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methoxybenzamide
CID 16945534
4-methyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]benzamide
CID 16947634
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947613

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate (CID 16947500) is ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCc3sc(NC(=O)c4ccc(C)cc4)nc32)C1.
What is the InChIKey of ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is ASGNPTCDOKJCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-3-30-22(29)16-5-4-12-26(13-16)21(28)17-10-11-18-19(17)24-23(31-18)25-20(27)15-8-6-14(2)7-9-15/h6-9,16-17H,3-5,10-13H2,1-2H3,(H,24,25,27).
What are the key properties of ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 441.55 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 16947500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).