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

C12H11N3O3S — CID 66373470

IUPAC2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCCc1nc(C(=O)O)cs1)c1cccnc1
InChIInChI=1S/C12H11N3O3S/c16-11(8-2-1-4-13-6-8)14-5-3-10-15-9(7-19-10)12(17)18/h1-2,4,6-7H,3,5H2,(H,14,16)(H,17,18)
InChIKeyJLTBLXSRXSFVDT-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.21
Rot. Bonds5

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

2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66373470) has the molecular formula C12H11N3O3S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66373470
Molecular FormulaC12H11N3O3S
Molecular Weight277.30 g/mol
Exact Mass277.05
IUPAC Name2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCCc1nc(C(=O)O)cs1)c1cccnc1
InChIInChI=1S/C12H11N3O3S/c16-11(8-2-1-4-13-6-8)14-5-3-10-15-9(7-19-10)12(17)18/h1-2,4,6-7H,3,5H2,(H,14,16)(H,17,18)
InChIKeyJLTBLXSRXSFVDT-UHFFFAOYSA-N
XLogP1.21
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
2-[2-[(3-fluoropyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375227
2-[2-[(4-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281
2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381322
2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696744
2-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375396
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-[2-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374654
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
3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317642
2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66373470) is 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is O=C(NCCc1nc(C(=O)O)cs1)c1cccnc1.
What is the InChIKey of 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JLTBLXSRXSFVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-11(8-2-1-4-13-6-8)14-5-3-10-15-9(7-19-10)12(17)18/h1-2,4,6-7H,3,5H2,(H,14,16)(H,17,18).
What are the key properties of 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66373470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).