ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate

C15H15BrN2O2S — CID 122508677

IUPACethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(Br)c2)sc1NC1CC1
InChIInChI=1S/C15H15BrN2O2S/c1-2-20-15(19)12-14(17-11-6-7-11)21-13(18-12)9-4-3-5-10(16)8-9/h3-5,8,11,17H,2,6-7H2,1H3
InChIKeyVVBSGGHTRWVTLX-UHFFFAOYSA-N
MW367.27 g/mol
LogP4.32
Rot. Bonds5

About ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate (PubChem CID 122508677) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate
PubChem CID122508677
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Nameethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(Br)c2)sc1NC1CC1
InChIInChI=1S/C15H15BrN2O2S/c1-2-20-15(19)12-14(17-11-6-7-11)21-13(18-12)9-4-3-5-10(16)8-9/h3-5,8,11,17H,2,6-7H2,1H3
InChIKeyVVBSGGHTRWVTLX-UHFFFAOYSA-N
XLogP4.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate (CID 122508677) is ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc(Br)c2)sc1NC1CC1.
What is the InChIKey of ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is VVBSGGHTRWVTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-2-20-15(19)12-14(17-11-6-7-11)21-13(18-12)9-4-3-5-10(16)8-9/h3-5,8,11,17H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 367.27 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 122508677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).