ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate

C13H20N2O2S — CID 113451366

IUPACethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1nc(C)cs1
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(16)11(12-14-9(2)8-18-12)15-10-6-4-5-7-10/h8,10-11,15H,3-7H2,1-2H3
InChIKeyWIKWNPFMHDIUKK-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.59
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate

ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (PubChem CID 113451366) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
PubChem CID113451366
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nameethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1nc(C)cs1
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(16)11(12-14-9(2)8-18-12)15-10-6-4-5-7-10/h8,10-11,15H,3-7H2,1-2H3
InChIKeyWIKWNPFMHDIUKK-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104770695
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
CID 104770271

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (CID 113451366) is ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is CCOC(=O)C(NC1CCCC1)c1nc(C)cs1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The InChIKey is WIKWNPFMHDIUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-13(16)11(12-14-9(2)8-18-12)15-10-6-4-5-7-10/h8,10-11,15H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate has a molecular weight of 268.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 113451366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).