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

C13H19NO3S — CID 113395600

IUPACethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(CC(C)OC)nc21
InChIInChI=1S/C13H19NO3S/c1-4-17-13(15)9-5-6-10-12(9)14-11(18-10)7-8(2)16-3/h8-9H,4-7H2,1-3H3
InChIKeyFTSIQALECREJJR-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.31
Rot. Bonds5

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

ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 113395600) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID113395600
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Nameethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(CC(C)OC)nc21
InChIInChI=1S/C13H19NO3S/c1-4-17-13(15)9-5-6-10-12(9)14-11(18-10)7-8(2)16-3/h8-9H,4-7H2,1-3H3
InChIKeyFTSIQALECREJJR-UHFFFAOYSA-N
XLogP2.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1-methylsulfanylpropan-2-ylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113473116
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-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113395606
ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 103541672
ethyl 2-(cyclopropylsulfonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 138673799
ethyl 2-[2-[acetyl(methyl)amino]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 86815985
ethyl 2-(2-methoxyethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 113395648
2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 113391642
ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 91670682
ethyl 2-[(5-oxo-1,4-thiazepane-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 71798094
ethyl 2-[(5-oxopyrrolidin-3-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 106198164

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 113395600) is ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(CC(C)OC)nc21.
What is the InChIKey of ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is FTSIQALECREJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-17-13(15)9-5-6-10-12(9)14-11(18-10)7-8(2)16-3/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 113395600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).