benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C14H13NO2S — CID 134448060

IUPACbenzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CCc2scnc21
InChIInChI=1S/C14H13NO2S/c16-14(17-8-10-4-2-1-3-5-10)11-6-7-12-13(11)15-9-18-12/h1-5,9,11H,6-8H2
InChIKeyUGQUWNMUCMXPNJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.92
Rot. Bonds3

About benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 134448060) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID134448060
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Namebenzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CCc2scnc21
InChIInChI=1S/C14H13NO2S/c16-14(17-8-10-4-2-1-3-5-10)11-6-7-12-13(11)15-9-18-12/h1-5,9,11H,6-8H2
InChIKeyUGQUWNMUCMXPNJ-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (1S)-2-oxocyclobutane-1-carboxylate
CID 66868456
dibenzyl thiolane-2,5-dicarboxylate
CID 14993194
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CID 69403132
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 1,3-dithiane-2-carboxylate
CID 21464099
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
benzyl 2-oxooxetane-3-carboxylate
CID 102128365
benzyl (3S)-1-amino-2-oxopyrrolidine-3-carboxylate
CID 71431336
benzyl (2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 95233594
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190

Frequently Asked Questions

What is the IUPAC name of benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 134448060) is benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is O=C(OCc1ccccc1)C1CCc2scnc21.
What is the InChIKey of benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is UGQUWNMUCMXPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-14(17-8-10-4-2-1-3-5-10)11-6-7-12-13(11)15-9-18-12/h1-5,9,11H,6-8H2.
What are the key properties of benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 259.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 134448060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).