2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde

C8H5N3OS — CID 58504018

IUPAC2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ncccn2)s1
InChIInChI=1S/C8H5N3OS/c12-5-6-4-11-8(13-6)7-9-2-1-3-10-7/h1-5H
InChIKeyIAAJIHOUAWEYPY-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.41
Rot. Bonds2

About 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde

2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 58504018) has the molecular formula C8H5N3OS and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde
PubChem CID58504018
Molecular FormulaC8H5N3OS
Molecular Weight191.22 g/mol
Exact Mass191.02
IUPAC Name2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ncccn2)s1
InChIInChI=1S/C8H5N3OS/c12-5-6-4-11-8(13-6)7-9-2-1-3-10-7/h1-5H
InChIKeyIAAJIHOUAWEYPY-UHFFFAOYSA-N
XLogP1.41
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
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-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde (CID 58504018) is 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ncccn2)s1.
What is the InChIKey of 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is IAAJIHOUAWEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3OS/c12-5-6-4-11-8(13-6)7-9-2-1-3-10-7/h1-5H.
What are the key properties of 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde?
2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 191.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 58504018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).