ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C15H21NO2S — CID 113395606

IUPACethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(C3CCC(C)C3)nc21
InChIInChI=1S/C15H21NO2S/c1-3-18-15(17)11-6-7-12-13(11)16-14(19-12)10-5-4-9(2)8-10/h9-11H,3-8H2,1-2H3
InChIKeyWXRKAGCQVPXSMG-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.64
Rot. Bonds3

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

ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 113395606) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID113395606
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Nameethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(C3CCC(C)C3)nc21
InChIInChI=1S/C15H21NO2S/c1-3-18-15(17)11-6-7-12-13(11)16-14(19-12)10-5-4-9(2)8-10/h9-11H,3-8H2,1-2H3
InChIKeyWXRKAGCQVPXSMG-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylsulfonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 138673799
ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113395600
ethyl 2-(1-methoxycyclobutyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 116705336
ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 116705343
ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 103541672
ethyl 2-(1-methylsulfanylpropan-2-ylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113473116
ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 91670682
ethyl 2-(4-methylthiomorpholin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 103595044
4-(4-butoxycarbonyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)cyclohexane-1-carboxylic acid
CID 139652839
ethyl 2-[(5-oxopyrrolidin-3-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 106198164
ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 114905332
ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 107587125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 113395606) is ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(C3CCC(C)C3)nc21.
What is the InChIKey of ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is WXRKAGCQVPXSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-18-15(17)11-6-7-12-13(11)16-14(19-12)10-5-4-9(2)8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 279.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 113395606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).