2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C12H11N3O3S — CID 116696744

IUPAC2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCCc2cccnc2)n1
InChIInChI=1S/C12H11N3O3S/c16-10(11-15-9(7-19-11)12(17)18)14-5-3-8-2-1-4-13-6-8/h1-2,4,6-7H,3,5H2,(H,14,16)(H,17,18)
InChIKeyJDAMHEUYMMKYTG-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.21
Rot. Bonds5

About 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696744) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696744
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCCc2cccnc2)n1
InChIInChI=1S/C12H11N3O3S/c16-10(11-15-9(7-19-11)12(17)18)14-5-3-8-2-1-4-13-6-8/h1-2,4,6-7H,3,5H2,(H,14,16)(H,17,18)
InChIKeyJDAMHEUYMMKYTG-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 ≤ 500277.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381322
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373470
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569290
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106106169
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
2-(but-3-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697445
2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106406123
2-amino-N-(2-pyridin-3-ylethyl)-2-thiophen-2-ylacetamide
CID 113279110
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116696744) is 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)NCCc2cccnc2)n1.
What is the InChIKey of 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is JDAMHEUYMMKYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-10(11-15-9(7-19-11)12(17)18)14-5-3-8-2-1-4-13-6-8/h1-2,4,6-7H,3,5H2,(H,14,16)(H,17,18).
What are the key properties of 2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 277.31 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-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).