ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate

C14H15ClN2O2S — CID 80568153

IUPACethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN2O2S/c1-3-19-13(18)12-8-20-14(17-12)16-9(2)10-6-4-5-7-11(10)15/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyKMNQPRVPMVQJJM-UHFFFAOYSA-N
MW310.81 g/mol
LogP4.15
Rot. Bonds5

About ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 80568153) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID80568153
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Nameethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN2O2S/c1-3-19-13(18)12-8-20-14(17-12)16-9(2)10-6-4-5-7-11(10)15/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyKMNQPRVPMVQJJM-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1-(2-chlorophenyl)ethylamino]-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

Related Compounds

ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 78943001
ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574170
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567979
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
ethyl 2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 112794508
ethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 78907467
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
methyl 2-[1-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 115423903

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate (CID 80568153) is ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(C)c2ccccc2Cl)n1.
What is the InChIKey of ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is KMNQPRVPMVQJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-3-19-13(18)12-8-20-14(17-12)16-9(2)10-6-4-5-7-11(10)15/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 310.81 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).