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

C12H10Cl2N2O2S — CID 34173292

IUPACethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O2S/c1-2-18-11(17)10-9(16-12(15)19-10)6-3-7(13)5-8(14)4-6/h3-5H,2H2,1H3,(H2,15,16)
InChIKeyPDNQPIMWWJXBAA-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.88
Rot. Bonds3

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

ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 34173292) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID34173292
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Nameethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O2S/c1-2-18-11(17)10-9(16-12(15)19-10)6-3-7(13)5-8(14)4-6/h3-5H,2H2,1H3,(H2,15,16)
InChIKeyPDNQPIMWWJXBAA-UHFFFAOYSA-N
XLogP3.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
CID 90477363
ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 22282457
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 63398439
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
CID 53440975
ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate
CID 59864723
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 94699550
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate (CID 34173292) is ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is PDNQPIMWWJXBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-2-18-11(17)10-9(16-12(15)19-10)6-3-7(13)5-8(14)4-6/h3-5H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 317.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 34173292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).