N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide

C27H29N3O2S — CID 16947503

IUPACN-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H29N3O2S/c1-18-7-9-21(10-8-18)25(31)29-27-28-24-22(11-12-23(24)33-27)26(32)30-15-13-20(14-16-30)17-19-5-3-2-4-6-19/h2-10,20,22H,11-17H2,1H3,(H,28,29,31)
InChIKeyCYEIXXIAEAYAQV-UHFFFAOYSA-N
MW459.62 g/mol
LogP5.21
Rot. Bonds5

About N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide

N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide (PubChem CID 16947503) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide
PubChem CID16947503
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC NameN-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H29N3O2S/c1-18-7-9-21(10-8-18)25(31)29-27-28-24-22(11-12-23(24)33-27)26(32)30-15-13-20(14-16-30)17-19-5-3-2-4-6-19/h2-10,20,22H,11-17H2,1H3,(H,28,29,31)
InChIKeyCYEIXXIAEAYAQV-UHFFFAOYSA-N
XLogP5.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.62
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide with MolForge

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Related Compounds

methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate
CID 16947024
N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 16945692
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
4-chloro-N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945509
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
N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 16945699
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
2-[(4-methylbenzoyl)amino]-N-(4-phenylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945743
(4S)-2-[(4-methylbenzoyl)amino]-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 40894832
2-benzamido-N-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947039
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide (CID 16947503) is N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3c(s2)CCC3C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide?
The InChIKey is CYEIXXIAEAYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c1-18-7-9-21(10-8-18)25(31)29-27-28-24-22(11-12-23(24)33-27)26(32)30-15-13-20(14-16-30)17-19-5-3-2-4-6-19/h2-10,20,22H,11-17H2,1H3,(H,28,29,31).
What are the key properties of N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide?
N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide has a molecular weight of 459.62 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 16947503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).