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

C14H15N3O3S — CID 134095187

IUPACethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2ccc(NC(C)=O)cc2)c1N
InChIInChI=1S/C14H15N3O3S/c1-3-20-14(19)13-11(15)12(17-21-13)9-4-6-10(7-5-9)16-8(2)18/h4-7H,3,15H2,1-2H3,(H,16,18)
InChIKeyJHWBUHBODGMWFL-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.53
Rot. Bonds4

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

ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate (PubChem CID 134095187) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate
PubChem CID134095187
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2ccc(NC(C)=O)cc2)c1N
InChIInChI=1S/C14H15N3O3S/c1-3-20-14(19)13-11(15)12(17-21-13)9-4-6-10(7-5-9)16-8(2)18/h4-7H,3,15H2,1-2H3,(H,16,18)
InChIKeyJHWBUHBODGMWFL-UHFFFAOYSA-N
XLogP2.53
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-3-(4-nitrophenyl)-1,2-thiazole-5-carboxylate
CID 12553631
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
4-amino-3-(4-methoxyphenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 52906119
ethyl 4-acetamido-2-aminobenzoate
CID 19006952
ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate
CID 42883070
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686
ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate
CID 171095847
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
ethyl 1-(4-acetamidophenyl)-5-aminotriazole-4-carboxylate
CID 17039293
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906086

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate (CID 134095187) is ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(-c2ccc(NC(C)=O)cc2)c1N.
What is the InChIKey of ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate?
The InChIKey is JHWBUHBODGMWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-20-14(19)13-11(15)12(17-21-13)9-4-6-10(7-5-9)16-8(2)18/h4-7H,3,15H2,1-2H3,(H,16,18).
What are the key properties of ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate?
ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 134095187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).