methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate

C11H16N2O2S — CID 103199747

IUPACmethyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2(C)CCCC2)sc1N
InChIInChI=1S/C11H16N2O2S/c1-11(5-3-4-6-11)10-13-7(8(12)16-10)9(14)15-2/h3-6,12H2,1-2H3
InChIKeyCNZHBJBNGYJLMK-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.34
Rot. Bonds2

About methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate

methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate (PubChem CID 103199747) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
PubChem CID103199747
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2(C)CCCC2)sc1N
InChIInChI=1S/C11H16N2O2S/c1-11(5-3-4-6-11)10-13-7(8(12)16-10)9(14)15-2/h3-6,12H2,1-2H3
InChIKeyCNZHBJBNGYJLMK-UHFFFAOYSA-N
XLogP2.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596
ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate
CID 144668787
methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 113306887
methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate
CID 103199691
methyl 5-amino-2-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxylate
CID 103199795
methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate
CID 103199638
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 3-amino-5-(1-methylcyclohexyl)-4-propan-2-ylthiophene-2-carboxylate
CID 106827797
methyl 5-amino-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199710
methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate
CID 103545225
methyl 5-amino-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199582

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate (CID 103199747) is methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2(C)CCCC2)sc1N.
What is the InChIKey of methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate?
The InChIKey is CNZHBJBNGYJLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(5-3-4-6-11)10-13-7(8(12)16-10)9(14)15-2/h3-6,12H2,1-2H3.
What are the key properties of methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.34, 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-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).