ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate

C14H16N4O4S — CID 166903913

IUPACethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncc(-c2nc(C(=O)OCC)c(N)s2)cc1N
InChIInChI=1S/C14H16N4O4S/c1-3-21-13(19)9-8(15)5-7(6-17-9)12-18-10(11(16)23-12)14(20)22-4-2/h5-6H,3-4,15-16H2,1-2H3
InChIKeyACPATUYKGCRFNB-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.72
Rot. Bonds5

About ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate (PubChem CID 166903913) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
PubChem CID166903913
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Nameethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncc(-c2nc(C(=O)OCC)c(N)s2)cc1N
InChIInChI=1S/C14H16N4O4S/c1-3-21-13(19)9-8(15)5-7(6-17-9)12-18-10(11(16)23-12)14(20)22-4-2/h5-6H,3-4,15-16H2,1-2H3
InChIKeyACPATUYKGCRFNB-UHFFFAOYSA-N
XLogP1.72
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 83777894
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate
CID 167933710
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 5-methyl-2-(5-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxylate
CID 116526280
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
CID 67233406
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640
ethyl 2-(3-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526219
ethyl 2-(3-bromo-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 58127634
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate (CID 166903913) is ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncc(-c2nc(C(=O)OCC)c(N)s2)cc1N.
What is the InChIKey of ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ACPATUYKGCRFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-3-21-13(19)9-8(15)5-7(6-17-9)12-18-10(11(16)23-12)14(20)22-4-2/h5-6H,3-4,15-16H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 166903913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).