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

C14H16N2O2S — CID 90477363

IUPACethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-4-18-13(17)12-11(16-14(15)19-12)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H2,15,16)
InChIKeyKQAOGJHFMVEYJB-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.19
Rot. Bonds3

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

ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 90477363) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
PubChem CID90477363
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-4-18-13(17)12-11(16-14(15)19-12)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H2,15,16)
InChIKeyKQAOGJHFMVEYJB-UHFFFAOYSA-N
XLogP3.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292
ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 22282457
2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95482127
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373
ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
CID 53440975
ethyl 5-acetyl-2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
CID 107376127
ethyl 2-bromo-4-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 131867355
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate
CID 59864723
ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate
CID 59864685

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate (CID 90477363) is ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1-c1ccc(C)c(C)c1.
What is the InChIKey of ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is KQAOGJHFMVEYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-18-13(17)12-11(16-14(15)19-12)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H2,15,16).
What are the key properties of ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.19, 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-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90477363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).