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

C14H13N3O5S — CID 52898188

IUPACmethyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)Cc1nc(NC(=O)c2ccncc2)sc1C(=O)OC
InChIInChI=1S/C14H13N3O5S/c1-21-10(18)7-9-11(13(20)22-2)23-14(16-9)17-12(19)8-3-5-15-6-4-8/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyWNRRUOBGELNBJA-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.29
Rot. Bonds5

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

methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 52898188) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID52898188
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Namemethyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)Cc1nc(NC(=O)c2ccncc2)sc1C(=O)OC
InChIInChI=1S/C14H13N3O5S/c1-21-10(18)7-9-11(13(20)22-2)23-14(16-9)17-12(19)8-3-5-15-6-4-8/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyWNRRUOBGELNBJA-UHFFFAOYSA-N
XLogP1.29
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid
CID 82226417
2-methylpropyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110444825
ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate
CID 82342569
N-(5-amino-4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 82342465
methyl 2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 48850323
methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 23763670
N-(4-chlorophenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
CID 1468155
methyl 4-ethyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110539054
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide
CID 82121906
methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 82342602
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate (CID 52898188) is methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)Cc1nc(NC(=O)c2ccncc2)sc1C(=O)OC.
What is the InChIKey of methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is WNRRUOBGELNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-21-10(18)7-9-11(13(20)22-2)23-14(16-9)17-12(19)8-3-5-15-6-4-8/h3-6H,7H2,1-2H3,(H,16,17,19).
What are the key properties of methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate?
methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 335.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 52898188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).