4-(2-ethylpyrimidin-4-yl)-1,3-thiazole

C9H9N3S — CID 160538111

IUPAC4-(2-ethylpyrimidin-4-yl)-1,3-thiazole
SMILESCCc1nccc(-c2cscn2)n1
InChIInChI=1S/C9H9N3S/c1-2-9-10-4-3-7(12-9)8-5-13-6-11-8/h3-6H,2H2,1H3
InChIKeyIASMNKGEEILZEC-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.16
Rot. Bonds2

About 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole

4-(2-ethylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 160538111) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-ethylpyrimidin-4-yl)-1,3-thiazole
PubChem CID160538111
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name4-(2-ethylpyrimidin-4-yl)-1,3-thiazole
SMILESCCc1nccc(-c2cscn2)n1
InChIInChI=1S/C9H9N3S/c1-2-9-10-4-3-7(12-9)8-5-13-6-11-8/h3-6H,2H2,1H3
InChIKeyIASMNKGEEILZEC-UHFFFAOYSA-N
XLogP2.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;ethane;4-(2-ethylpyrimidin-4-yl)-1,3-thiazole
CID 160538110
ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole
CID 90793423
4-(4-methyl-2-pyridinyl)-1,3-thiazole
CID 131134487
4-(4-ethylphenyl)-1,3-thiazole
CID 3919361
4-(2-ethylpyrimidin-4-yl)benzaldehyde
CID 105465944
[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
CID 105466934
1-(2-ethylpyrimidin-4-yl)-2-methylpropan-2-amine
CID 83857531
3-(2-ethylpyrimidin-4-yl)benzoic acid
CID 105485424
4-ethenyl-2-ethylpyrimidine
CID 67765134
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
2-ethyl-4-(1,3-thiazol-4-yl)aniline
CID 130905421
2-heptyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 70025140

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole (CID 160538111) is 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole is CCc1nccc(-c2cscn2)n1.
What is the InChIKey of 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is IASMNKGEEILZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-2-9-10-4-3-7(12-9)8-5-13-6-11-8/h3-6H,2H2,1H3.
What are the key properties of 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole?
4-(2-ethylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 191.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 160538111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).