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

C11H8Cl2N2O2S — CID 2768487

IUPACmethyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2S/c1-17-10(16)8-9(18-11(14)15-8)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15)
InChIKeyWURUCDRXVWFZOP-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.49
Rot. Bonds2

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

methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 2768487) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID2768487
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Namemethyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2S/c1-17-10(16)8-9(18-11(14)15-8)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15)
InChIKeyWURUCDRXVWFZOP-UHFFFAOYSA-N
XLogP3.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.49
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-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate (CID 2768487) is methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WURUCDRXVWFZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c1-17-10(16)8-9(18-11(14)15-8)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 303.17 g/mol, XLogP of 3.49, 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-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2768487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).