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

C13H13N3O3S — CID 719362

IUPACethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccncc2)nc1C
InChIInChI=1S/C13H13N3O3S/c1-3-19-12(18)10-8(2)15-13(20-10)16-11(17)9-4-6-14-7-5-9/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyODETUOQNLWOPHL-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.28
Rot. Bonds4

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

ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 719362) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID719362
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Nameethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccncc2)nc1C
InChIInChI=1S/C13H13N3O3S/c1-3-19-12(18)10-8(2)15-13(20-10)16-11(17)9-4-6-14-7-5-9/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyODETUOQNLWOPHL-UHFFFAOYSA-N
XLogP2.28
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
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
N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 854646
ethyl 5-[2-[2-[2-(diethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 9981456
ethyl 5-[2-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 10250263
Ethyl 2-methyl-6-oxo-5-(2-(2-(amino)-4-pyridinyl)-1,3-thiazol-4-yl)-1,6-dihydro-3-pyridinecarboxylate
CID 10405971
Ethyl 2-methyl-5-(2-(2-((2-methylpropyl)amino)-4-pyridinyl)-1,3-thiazol-4-yl)-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CID 11742422
Ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
CID 134138693
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 3698972
N-(4-tert-butyl-1,3-thiazol-2-yl)nicotinamide
CID 697160
2-[2-[[1-Oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]-4-thiazolyl]acetic acid ethyl ester
CID 1601742

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate (CID 719362) is ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccncc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is ODETUOQNLWOPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-3-19-12(18)10-8(2)15-13(20-10)16-11(17)9-4-6-14-7-5-9/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 719362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).