2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid

C12H12N4O3S — CID 114325098

IUPAC2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid
SMILESCc1csc(NC(=O)NCc2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C12H12N4O3S/c1-7-6-20-12(15-7)16-11(19)14-5-9-4-8(10(17)18)2-3-13-9/h2-4,6H,5H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeySPGMZZCZCJDKQH-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.87
Rot. Bonds4

About 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid

2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 114325098) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid
PubChem CID114325098
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid
SMILESCc1csc(NC(=O)NCc2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C12H12N4O3S/c1-7-6-20-12(15-7)16-11(19)14-5-9-4-8(10(17)18)2-3-13-9/h2-4,6H,5H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeySPGMZZCZCJDKQH-UHFFFAOYSA-N
XLogP1.87
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid (CID 114325098) is 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid is Cc1csc(NC(=O)NCc2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is SPGMZZCZCJDKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-6-20-12(15-7)16-11(19)14-5-9-4-8(10(17)18)2-3-13-9/h2-4,6H,5H2,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).