ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate

C13H13N3O4S — CID 4797155

IUPACethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(=O)[nH]c2)nc1C
InChIInChI=1S/C13H13N3O4S/c1-3-20-12(19)10-7(2)15-13(21-10)16-11(18)8-4-5-9(17)14-6-8/h4-6H,3H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyONPOWAKRBFROTB-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.57
Rot. Bonds4

About ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 4797155) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID4797155
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Nameethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(=O)[nH]c2)nc1C
InChIInChI=1S/C13H13N3O4S/c1-3-20-12(19)10-7(2)15-13(21-10)16-11(18)8-4-5-9(17)14-6-8/h4-6H,3H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyONPOWAKRBFROTB-UHFFFAOYSA-N
XLogP1.57
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 4797155) is ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(=O)[nH]c2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ONPOWAKRBFROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-3-20-12(19)10-7(2)15-13(21-10)16-11(18)8-4-5-9(17)14-6-8/h4-6H,3H2,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4797155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).