4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid

C11H9N3O3S — CID 114030963

IUPAC4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCc1ncc(C(=O)Nc2ccnc(C(=O)O)c2)s1
InChIInChI=1S/C11H9N3O3S/c1-6-13-5-9(18-6)10(15)14-7-2-3-12-8(4-7)11(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15)
InChIKeySXSUNMPSMNCFRT-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.80
Rot. Bonds3

About 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid

4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 114030963) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID114030963
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCc1ncc(C(=O)Nc2ccnc(C(=O)O)c2)s1
InChIInChI=1S/C11H9N3O3S/c1-6-13-5-9(18-6)10(15)14-7-2-3-12-8(4-7)11(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15)
InChIKeySXSUNMPSMNCFRT-UHFFFAOYSA-N
XLogP1.80
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650927
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid (CID 114030963) is 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid is Cc1ncc(C(=O)Nc2ccnc(C(=O)O)c2)s1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is SXSUNMPSMNCFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-6-13-5-9(18-6)10(15)14-7-2-3-12-8(4-7)11(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15).
What are the key properties of 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid?
4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114030963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).