6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid

C13H13N3O3S — CID 103790286

IUPAC6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(NC(=O)c1cccc(C(=O)O)n1)c1nccs1
InChIInChI=1S/C13H13N3O3S/c1-13(2,12-14-6-7-20-12)16-10(17)8-4-3-5-9(15-8)11(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFRXVMQLUGIBYAJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.90
Rot. Bonds4

About 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid

6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 103790286) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID103790286
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(NC(=O)c1cccc(C(=O)O)n1)c1nccs1
InChIInChI=1S/C13H13N3O3S/c1-13(2,12-14-6-7-20-12)16-10(17)8-4-3-5-9(15-8)11(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFRXVMQLUGIBYAJ-UHFFFAOYSA-N
XLogP1.90
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
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2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 114131562
4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 103865536
2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 104919793
2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide
CID 107091806
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 71093651
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 86962252
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid (CID 103790286) is 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid is CC(C)(NC(=O)c1cccc(C(=O)O)n1)c1nccs1.
What is the InChIKey of 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is FRXVMQLUGIBYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-13(2,12-14-6-7-20-12)16-10(17)8-4-3-5-9(15-8)11(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103790286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).