2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde

C9H7N3OS — CID 115528106

IUPAC2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCc1nccc(-c2ncc(C=O)s2)n1
InChIInChI=1S/C9H7N3OS/c1-6-10-3-2-8(12-6)9-11-4-7(5-13)14-9/h2-5H,1H3
InChIKeyLOMYDEIXBAHVKW-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.72
Rot. Bonds2

About 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde

2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 115528106) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID115528106
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCc1nccc(-c2ncc(C=O)s2)n1
InChIInChI=1S/C9H7N3OS/c1-6-10-3-2-8(12-6)9-11-4-7(5-13)14-9/h2-5H,1H3
InChIKeyLOMYDEIXBAHVKW-UHFFFAOYSA-N
XLogP1.72
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 115528201
2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde
CID 130517750
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767
N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 115528167
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
CID 96619449
2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde
CID 130941438
2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde
CID 106886413
6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde
CID 115531238
2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
CID 62318682
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
2-(2-methylpyrimidin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 115528147

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde (CID 115528106) is 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde is Cc1nccc(-c2ncc(C=O)s2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is LOMYDEIXBAHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-6-10-3-2-8(12-6)9-11-4-7(5-13)14-9/h2-5H,1H3.
What are the key properties of 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde?
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 205.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 115528106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).