2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde

C10H8N2OS — CID 115091325

IUPAC2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
SMILESO=CCc1cnc(-c2cccnc2)s1
InChIInChI=1S/C10H8N2OS/c13-5-3-9-7-12-10(14-9)8-2-1-4-11-6-8/h1-2,4-7H,3H2
InChIKeyCAQJAKWCHXVOMS-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.95
Rot. Bonds3

About 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde

2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde (PubChem CID 115091325) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
PubChem CID115091325
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
SMILESO=CCc1cnc(-c2cccnc2)s1
InChIInChI=1S/C10H8N2OS/c13-5-3-9-7-12-10(14-9)8-2-1-4-11-6-8/h1-2,4-7H,3H2
InChIKeyCAQJAKWCHXVOMS-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
2-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091752
2-[2-(3-methylphenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091749
5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
4-(2-pyridin-3-yl-1,3-thiazol-5-yl)butan-1-amine
CID 11557701
N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide
CID 174849944
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 119033132
N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 75505274
N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 97252891
2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
CID 82422642

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde?
The IUPAC name of 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde (CID 115091325) is 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde is O=CCc1cnc(-c2cccnc2)s1.
What is the InChIKey of 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde?
The InChIKey is CAQJAKWCHXVOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-5-3-9-7-12-10(14-9)8-2-1-4-11-6-8/h1-2,4-7H,3H2.
What are the key properties of 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde?
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde has a molecular weight of 204.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde is sourced from PubChem (CID 115091325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).