ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate

C15H24N2O2S — CID 64991309

IUPACethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCCCC1)c1nccs1
InChIInChI=1S/C15H24N2O2S/c1-3-19-14(18)15(2,13-16-10-11-20-13)17-12-8-6-4-5-7-9-12/h10-12,17H,3-9H2,1-2H3
InChIKeyAHDWICZDCXVKKC-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate

ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 64991309) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
PubChem CID64991309
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)(NC1CCCCCC1)c1nccs1
InChIInChI=1S/C15H24N2O2S/c1-3-19-14(18)15(2,13-16-10-11-20-13)17-12-8-6-4-5-7-9-12/h10-12,17H,3-9H2,1-2H3
InChIKeyAHDWICZDCXVKKC-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991251
methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991150
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 66188847
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate
CID 121000290
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate (CID 64991309) is ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate is CCOC(=O)C(C)(NC1CCCCCC1)c1nccs1.
What is the InChIKey of ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is AHDWICZDCXVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-19-14(18)15(2,13-16-10-11-20-13)17-12-8-6-4-5-7-9-12/h10-12,17H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate?
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 296.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 64991309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).