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

C9H7N3OS — CID 115528201

IUPAC2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESCc1nccc(-c2nc(C=O)cs2)n1
InChIInChI=1S/C9H7N3OS/c1-6-10-3-2-8(11-6)9-12-7(4-13)5-14-9/h2-5H,1H3
InChIKeyKUUAJOOMBHKLAR-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.72
Rot. Bonds2

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

2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 115528201) 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-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID115528201
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESCc1nccc(-c2nc(C=O)cs2)n1
InChIInChI=1S/C9H7N3OS/c1-6-10-3-2-8(11-6)9-12-7(4-13)5-14-9/h2-5H,1H3
InChIKeyKUUAJOOMBHKLAR-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-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 63841527
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 115528106
2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115531309
6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde
CID 115531238
2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 91664700
2-[5-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 115527374
2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
CID 60998486
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde
CID 176659494
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 79235363
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
CID 116889414

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde (CID 115528201) is 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde is Cc1nccc(-c2nc(C=O)cs2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is KUUAJOOMBHKLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-6-10-3-2-8(11-6)9-12-7(4-13)5-14-9/h2-5H,1H3.
What are the key properties of 2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde?
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-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-4-carbaldehyde is sourced from PubChem (CID 115528201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).