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

C12H11ClN2O2S — CID 12603733

IUPACethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1-c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-11(16)9-10(18-12(14)15-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H2,14,15)
InChIKeyPCWLPHQEEGDDTM-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.22
Rot. Bonds3

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

ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 12603733) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID12603733
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Nameethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1-c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-11(16)9-10(18-12(14)15-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H2,14,15)
InChIKeyPCWLPHQEEGDDTM-UHFFFAOYSA-N
XLogP3.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133062647
ethyl 2-amino-5-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 53271409
ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 53271473
ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398785
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 5-[(3-chlorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 165177655
ethyl 2-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 11232887
methyl 2-amino-5-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylate
CID 131722526
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 53271192

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate (CID 12603733) is ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N)sc1-c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is PCWLPHQEEGDDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-2-17-11(16)9-10(18-12(14)15-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 282.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 12603733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).