2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde

C10H9N3OS — CID 86634740

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde
SMILESCc1csc(Nc2cc(C=O)ccn2)n1
InChIInChI=1S/C10H9N3OS/c1-7-6-15-10(12-7)13-9-4-8(5-14)2-3-11-9/h2-6H,1H3,(H,11,12,13)
InChIKeyFIUFVLXDLQBXRW-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.40
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde

2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde (PubChem CID 86634740) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde
PubChem CID86634740
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde
SMILESCc1csc(Nc2cc(C=O)ccn2)n1
InChIInChI=1S/C10H9N3OS/c1-7-6-15-10(12-7)13-9-4-8(5-14)2-3-11-9/h2-6H,1H3,(H,11,12,13)
InChIKeyFIUFVLXDLQBXRW-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde (CID 86634740) is 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde is Cc1csc(Nc2cc(C=O)ccn2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde?
The InChIKey is FIUFVLXDLQBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-7-6-15-10(12-7)13-9-4-8(5-14)2-3-11-9/h2-6H,1H3,(H,11,12,13).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde?
2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-4-carbaldehyde has a molecular weight of 219.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 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)amino]pyridine-4-carbaldehyde is sourced from PubChem (CID 86634740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).