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

C9H7N3OS — CID 130941438

IUPAC2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde
SMILESCc1ncncc1-c1ncc(C=O)s1
InChIInChI=1S/C9H7N3OS/c1-6-8(3-10-5-12-6)9-11-2-7(4-13)14-9/h2-5H,1H3
InChIKeyXPQRAUKULYDNBF-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.72
Rot. Bonds2

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

2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 130941438) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID130941438
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde
SMILESCc1ncncc1-c1ncc(C=O)s1
InChIInChI=1S/C9H7N3OS/c1-6-8(3-10-5-12-6)9-11-2-7(4-13)14-9/h2-5H,1H3
InChIKeyXPQRAUKULYDNBF-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-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde
CID 130655979
2-(2-bromo-3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 131162374
2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 107281187
2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 146635967
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 115528106
2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde
CID 130517750
2-(2-propan-2-yloxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 178133884
2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 58504294
2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 45084000
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767
2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
CID 178133496

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde (CID 130941438) is 2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde is Cc1ncncc1-c1ncc(C=O)s1.
What is the InChIKey of 2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is XPQRAUKULYDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-6-8(3-10-5-12-6)9-11-2-7(4-13)14-9/h2-5H,1H3.
What are the key properties of 2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde?
2-(4-methylpyrimidin-5-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-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 130941438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).