ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate

C13H21NO2S — CID 144668787

IUPACethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate
SMILESCC.COC(=O)c1cnc(C2(C)CCCC2)s1
InChIInChI=1S/C11H15NO2S.C2H6/c1-11(5-3-4-6-11)10-12-7-8(15-10)9(13)14-2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyOVCUEQCNYPSYHX-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.79
Rot. Bonds2

About ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate

ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate (PubChem CID 144668787) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate
PubChem CID144668787
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Nameethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate
SMILESCC.COC(=O)c1cnc(C2(C)CCCC2)s1
InChIInChI=1S/C11H15NO2S.C2H6/c1-11(5-3-4-6-11)10-12-7-8(15-10)9(13)14-2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyOVCUEQCNYPSYHX-UHFFFAOYSA-N
XLogP3.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate (CID 144668787) is ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate is CC.COC(=O)c1cnc(C2(C)CCCC2)s1.
What is the InChIKey of ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate?
The InChIKey is OVCUEQCNYPSYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.C2H6/c1-11(5-3-4-6-11)10-12-7-8(15-10)9(13)14-2;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate?
ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate has a molecular weight of 255.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 144668787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).