ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate

C13H13N3O3S — CID 2314998

IUPACethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C13H13N3O3S/c1-2-19-11(17)7-10-8-20-13(15-10)16-12(18)9-3-5-14-6-4-9/h3-6,8H,2,7H2,1H3,(H,15,16,18)
InChIKeyJFDPCFXOMAJOSE-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.90
Rot. Bonds5

About ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2314998) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2314998
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Nameethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C13H13N3O3S/c1-2-19-11(17)7-10-8-20-13(15-10)16-12(18)9-3-5-14-6-4-9/h3-6,8H,2,7H2,1H3,(H,15,16,18)
InChIKeyJFDPCFXOMAJOSE-UHFFFAOYSA-N
XLogP1.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
N-(5-methyl-1,3-thiazol-2-yl)isonicotinamide
CID 1245805
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
Methyl 2-(isonicotinoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 887876
N-(4-methyl-1,3-thiazol-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
CID 2377416
Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
CID 719362
N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 854646
N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 2660429
ethyl 5-[2-[2-[2-(diethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 9981456

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 2314998) is ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is JFDPCFXOMAJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-2-19-11(17)7-10-8-20-13(15-10)16-12(18)9-3-5-14-6-4-9/h3-6,8H,2,7H2,1H3,(H,15,16,18).
What are the key properties of ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 291.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2314998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).