2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid

C16H11N3O3S — CID 39163969

IUPAC2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1ccc(-c2nc(C(=O)O)cs2)cc1)c1cccnc1
InChIInChI=1S/C16H11N3O3S/c20-14(11-2-1-7-17-8-11)18-12-5-3-10(4-6-12)15-19-13(9-23-15)16(21)22/h1-9H,(H,18,20)(H,21,22)
InChIKeySLBSTQZJNBNPBZ-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid

2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 39163969) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID39163969
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1ccc(-c2nc(C(=O)O)cs2)cc1)c1cccnc1
InChIInChI=1S/C16H11N3O3S/c20-14(11-2-1-7-17-8-11)18-12-5-3-10(4-6-12)15-19-13(9-23-15)16(21)22/h1-9H,(H,18,20)(H,21,22)
InChIKeySLBSTQZJNBNPBZ-UHFFFAOYSA-N
XLogP3.16
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 40547504
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373470
(4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 26663350
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxylic acid
CID 39163939
5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 122286371
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
N-[4-(furan-2-yl)phenyl]pyridine-3-carboxamide
CID 168526932
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid (CID 39163969) is 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid is O=C(Nc1ccc(-c2nc(C(=O)O)cs2)cc1)c1cccnc1.
What is the InChIKey of 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SLBSTQZJNBNPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-14(11-2-1-7-17-8-11)18-12-5-3-10(4-6-12)15-19-13(9-23-15)16(21)22/h1-9H,(H,18,20)(H,21,22).
What are the key properties of 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid?
2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 325.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 39163969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).