5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid

C11H9BrN4O3S — CID 81095291

IUPAC5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)nc1)Nc1ncc(Br)s1
InChIInChI=1S/C11H9BrN4O3S/c12-8-5-15-11(20-8)16-10(19)14-4-6-1-2-7(9(17)18)13-3-6/h1-3,5H,4H2,(H,17,18)(H2,14,15,16,19)
InChIKeyNVDYCBAWFVKJIQ-UHFFFAOYSA-N
MW357.19 g/mol
LogP2.32
Rot. Bonds4

About 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid

5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 81095291) has the molecular formula C11H9BrN4O3S and a molecular weight of 357.19 g/mol. Its IUPAC name is 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
PubChem CID81095291
Molecular FormulaC11H9BrN4O3S
Molecular Weight357.19 g/mol
Exact Mass355.96
IUPAC Name5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)nc1)Nc1ncc(Br)s1
InChIInChI=1S/C11H9BrN4O3S/c12-8-5-15-11(20-8)16-10(19)14-4-6-1-2-7(9(17)18)13-3-6/h1-3,5H,4H2,(H,17,18)(H2,14,15,16,19)
InChIKeyNVDYCBAWFVKJIQ-UHFFFAOYSA-N
XLogP2.32
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4-bromothiophen-2-yl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090020
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
5-[[(2-iodophenyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090851
1-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434066
5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095436
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090654
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090537

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid (CID 81095291) is 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid is O=C(NCc1ccc(C(=O)O)nc1)Nc1ncc(Br)s1.
What is the InChIKey of 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is NVDYCBAWFVKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3S/c12-8-5-15-11(20-8)16-10(19)14-4-6-1-2-7(9(17)18)13-3-6/h1-3,5H,4H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 357.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81095291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).