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

C16H25NO3S — CID 116705343

IUPACethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(C(OCC)C(C)(C)C)nc21
InChIInChI=1S/C16H25NO3S/c1-6-19-13(16(3,4)5)14-17-12-10(15(18)20-7-2)8-9-11(12)21-14/h10,13H,6-9H2,1-5H3
InChIKeyATBLPNWBIWVGGW-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.86
Rot. Bonds5

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

ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 116705343) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID116705343
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Nameethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(C(OCC)C(C)(C)C)nc21
InChIInChI=1S/C16H25NO3S/c1-6-19-13(16(3,4)5)14-17-12-10(15(18)20-7-2)8-9-11(12)21-14/h10,13H,6-9H2,1-5H3
InChIKeyATBLPNWBIWVGGW-UHFFFAOYSA-N
XLogP3.86
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate with MolForge

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Related Compounds

2-(1-ethoxy-2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 116728272
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-(3-methylcyclopentyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113395606
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-(cyclopropylsulfonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 138673799
ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 103541672
ethyl 5-acetyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazole-4-carboxylate
CID 107376490
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
ethyl 2-(4-bromo-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 114905332

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 116705343) is ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(C(OCC)C(C)(C)C)nc21.
What is the InChIKey of ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is ATBLPNWBIWVGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-6-19-13(16(3,4)5)14-17-12-10(15(18)20-7-2)8-9-11(12)21-14/h10,13H,6-9H2,1-5H3.
What are the key properties of ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethoxy-2,2-dimethylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 116705343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).