ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate

C9H13ClN2O2S — CID 86669542

IUPACethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc(N)sc1Cl
InChIInChI=1S/C9H13ClN2O2S/c1-4-14-7(13)9(2,3)5-6(10)15-8(11)12-5/h4H2,1-3H3,(H2,11,12)
InChIKeySZNVHJWMUIPMHX-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.22
Rot. Bonds3

About ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate

ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate (PubChem CID 86669542) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
PubChem CID86669542
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Nameethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc(N)sc1Cl
InChIInChI=1S/C9H13ClN2O2S/c1-4-14-7(13)9(2,3)5-6(10)15-8(11)12-5/h4H2,1-3H3,(H2,11,12)
InChIKeySZNVHJWMUIPMHX-UHFFFAOYSA-N
XLogP2.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate (CID 86669542) is ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1nc(N)sc1Cl.
What is the InChIKey of ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate?
The InChIKey is SZNVHJWMUIPMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-4-14-7(13)9(2,3)5-6(10)15-8(11)12-5/h4H2,1-3H3,(H2,11,12).
What are the key properties of ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate?
ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate has a molecular weight of 248.73 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate is sourced from PubChem (CID 86669542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).