2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C13H13N3O4S — CID 66375242

IUPAC2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCn1ccc(C(=O)NCCc2nc(C(=O)O)cs2)cc1=O
InChIInChI=1S/C13H13N3O4S/c1-16-5-3-8(6-11(16)17)12(18)14-4-2-10-15-9(7-21-10)13(19)20/h3,5-7H,2,4H2,1H3,(H,14,18)(H,19,20)
InChIKeyWMPWQCQDODYWPK-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.51
Rot. Bonds5

About 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66375242) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66375242
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCn1ccc(C(=O)NCCc2nc(C(=O)O)cs2)cc1=O
InChIInChI=1S/C13H13N3O4S/c1-16-5-3-8(6-11(16)17)12(18)14-4-2-10-15-9(7-21-10)13(19)20/h3,5-7H,2,4H2,1H3,(H,14,18)(H,19,20)
InChIKeyWMPWQCQDODYWPK-UHFFFAOYSA-N
XLogP0.51
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3-hydroxy-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374641
2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107675014
2-[1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373640
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
2-[2-[(4-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281
2-[2-[(4-amino-3-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374980
2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 167775492
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373470
2-[2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 86285890
2-[2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 121494646
2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107729424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66375242) is 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is Cn1ccc(C(=O)NCCc2nc(C(=O)O)cs2)cc1=O.
What is the InChIKey of 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WMPWQCQDODYWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-16-5-3-8(6-11(16)17)12(18)14-4-2-10-15-9(7-21-10)13(19)20/h3,5-7H,2,4H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66375242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).