2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde

C8H6N4OS — CID 139136806

IUPAC2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(Nc2ncccn2)s1
InChIInChI=1S/C8H6N4OS/c13-5-6-4-11-8(14-6)12-7-9-2-1-3-10-7/h1-5H,(H,9,10,11,12)
InChIKeyYJLZBOCEQHOUPD-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.49
Rot. Bonds3

About 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde

2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 139136806) has the molecular formula C8H6N4OS and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID139136806
Molecular FormulaC8H6N4OS
Molecular Weight206.23 g/mol
Exact Mass206.03
IUPAC Name2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(Nc2ncccn2)s1
InChIInChI=1S/C8H6N4OS/c13-5-6-4-11-8(14-6)12-7-9-2-1-3-10-7/h1-5H,(H,9,10,11,12)
InChIKeyYJLZBOCEQHOUPD-UHFFFAOYSA-N
XLogP1.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde (CID 139136806) is 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(Nc2ncccn2)s1.
What is the InChIKey of 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is YJLZBOCEQHOUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4OS/c13-5-6-4-11-8(14-6)12-7-9-2-1-3-10-7/h1-5H,(H,9,10,11,12).
What are the key properties of 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde?
2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 206.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 139136806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).