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

C12H12N4O3S — CID 82342569

IUPACethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2ccncc2)sc1N
InChIInChI=1S/C12H12N4O3S/c1-2-19-11(18)8-9(13)20-12(15-8)16-10(17)7-3-5-14-6-4-7/h3-6H,2,13H2,1H3,(H,15,16,17)
InChIKeyXYPIGNGMGGTFSJ-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.55
Rot. Bonds4

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

ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate (PubChem CID 82342569) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate
PubChem CID82342569
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Nameethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2ccncc2)sc1N
InChIInChI=1S/C12H12N4O3S/c1-2-19-11(18)8-9(13)20-12(15-8)16-10(17)7-3-5-14-6-4-7/h3-6H,2,13H2,1H3,(H,15,16,17)
InChIKeyXYPIGNGMGGTFSJ-UHFFFAOYSA-N
XLogP1.55
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-amino-4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 82342465
ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate
CID 82342560
diethyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate
CID 1112428
2-methylpropyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110444825
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
CID 7311998
ethyl 5-amino-1-[4-(pyridine-4-carbonylamino)phenyl]triazole-4-carboxylate
CID 17039291
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 52898188
ethyl 5-methyl-2-[(4-methylbenzoyl)carbamothioylamino]-1,3-thiazole-4-carboxylate
CID 1018418
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342440

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate (CID 82342569) is ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(=O)c2ccncc2)sc1N.
What is the InChIKey of ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is XYPIGNGMGGTFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-2-19-11(18)8-9(13)20-12(15-8)16-10(17)7-3-5-14-6-4-7/h3-6H,2,13H2,1H3,(H,15,16,17).
What are the key properties of ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 82342569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).