2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde

C10H8N2OS — CID 62551222

IUPAC2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Cc2ccncc2)n1
InChIInChI=1S/C10H8N2OS/c13-6-9-7-14-10(12-9)5-8-1-3-11-4-2-8/h1-4,6-7H,5H2
InChIKeyDSQNSXKWUNJOTN-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.94
Rot. Bonds3

About 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde

2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 62551222) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde
PubChem CID62551222
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Cc2ccncc2)n1
InChIInChI=1S/C10H8N2OS/c13-6-9-7-14-10(12-9)5-8-1-3-11-4-2-8/h1-4,6-7H,5H2
InChIKeyDSQNSXKWUNJOTN-UHFFFAOYSA-N
XLogP1.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(pyridin-4-ylmethyl)-1,3-thiazole
CID 83159119
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carbaldehyde
CID 62800362
2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde
CID 60998346
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906
2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane
CID 142947803
N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55086572
N-[[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 162391934
[4-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanol
CID 167449107
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781
N-methylmethanamine;2-pyridin-4-ylacetaldehyde
CID 144882029
4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 167449137
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde (CID 62551222) is 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(Cc2ccncc2)n1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is DSQNSXKWUNJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-6-9-7-14-10(12-9)5-8-1-3-11-4-2-8/h1-4,6-7H,5H2.
What are the key properties of 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde?
2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 204.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 62551222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).