methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate

C13H20N2O2S — CID 103199596

IUPACmethyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CCCCCCC2)sc1N
InChIInChI=1S/C13H20N2O2S/c1-17-13(16)10-11(14)18-12(15-10)9-7-5-3-2-4-6-8-9/h9H,2-8,14H2,1H3
InChIKeyMPUVCINVKZTVOM-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.34
Rot. Bonds2

About methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate

methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate (PubChem CID 103199596) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
PubChem CID103199596
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CCCCCCC2)sc1N
InChIInChI=1S/C13H20N2O2S/c1-17-13(16)10-11(14)18-12(15-10)9-7-5-3-2-4-6-8-9/h9H,2-8,14H2,1H3
InChIKeyMPUVCINVKZTVOM-UHFFFAOYSA-N
XLogP3.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxylate
CID 103199795
5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid
CID 83703476
methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate
CID 103199691
methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate
CID 103199638
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate
CID 106510344
methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 103199626
methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
CID 103199747
2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 22494322
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
methyl 5-amino-4-cyclohexyl-1-ethylpyrazole-3-carboxylate
CID 165486036
methyl 3-amino-5-cyclododecylthiophene-2-carboxylate
CID 123337713

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate (CID 103199596) is methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2CCCCCCC2)sc1N.
What is the InChIKey of methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate?
The InChIKey is MPUVCINVKZTVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-13(16)10-11(14)18-12(15-10)9-7-5-3-2-4-6-8-9/h9H,2-8,14H2,1H3.
What are the key properties of methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).