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

C11H9ClN2O2S — CID 2763352

IUPACmethyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14)
InChIKeyKMZCBFMFOJXUMA-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.83
Rot. Bonds2

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

methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 2763352) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID2763352
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Namemethyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14)
InChIKeyKMZCBFMFOJXUMA-UHFFFAOYSA-N
XLogP2.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate (CID 2763352) is methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is KMZCBFMFOJXUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14).
What are the key properties of methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 268.73 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2763352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).