ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate

C15H21N3O3S — CID 42948294

IUPACethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2nc3c(s2)CCC3)C1
InChIInChI=1S/C15H21N3O3S/c1-2-21-15(20)18-8-4-5-10(9-18)13(19)17-14-16-11-6-3-7-12(11)22-14/h10H,2-9H2,1H3,(H,16,17,19)
InChIKeyHVPSPCBZRMGITK-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.44
Rot. Bonds3

About ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate

ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 42948294) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID42948294
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Nameethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2nc3c(s2)CCC3)C1
InChIInChI=1S/C15H21N3O3S/c1-2-21-15(20)18-8-4-5-10(9-18)13(19)17-14-16-11-6-3-7-12(11)22-14/h10H,2-9H2,1H3,(H,16,17,19)
InChIKeyHVPSPCBZRMGITK-UHFFFAOYSA-N
XLogP2.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94155243
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
ethyl (3S)-3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate
CID 51933764
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71705168
tert-butyl 2-[(1-butanoylpiperidine-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 55884144
[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 47119162
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
1-(cyclopropanecarbonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 26067271
(3S)-1-(6-chloropyridazin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 94162895

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate (CID 42948294) is ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)Nc2nc3c(s2)CCC3)C1.
What is the InChIKey of ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is HVPSPCBZRMGITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-2-21-15(20)18-8-4-5-10(9-18)13(19)17-14-16-11-6-3-7-12(11)22-14/h10H,2-9H2,1H3,(H,16,17,19).
What are the key properties of ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate?
ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 323.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 42948294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).