5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole

C11H9ClFN3OS — CID 164588493

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole
SMILESCc1nc(C2COC2)sc1-c1nc(Cl)ncc1F
InChIInChI=1S/C11H9ClFN3OS/c1-5-9(8-7(13)2-14-11(12)16-8)18-10(15-5)6-3-17-4-6/h2,6H,3-4H2,1H3
InChIKeyLJURFLZBUDRHTK-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.81
Rot. Bonds2

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole

5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole (PubChem CID 164588493) has the molecular formula C11H9ClFN3OS and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole
PubChem CID164588493
Molecular FormulaC11H9ClFN3OS
Molecular Weight285.73 g/mol
Exact Mass285.01
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole
SMILESCc1nc(C2COC2)sc1-c1nc(Cl)ncc1F
InChIInChI=1S/C11H9ClFN3OS/c1-5-9(8-7(13)2-14-11(12)16-8)18-10(15-5)6-3-17-4-6/h2,6H,3-4H2,1H3
InChIKeyLJURFLZBUDRHTK-UHFFFAOYSA-N
XLogP2.81
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole
CID 164588478
2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 171627470
4-(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 167193069
2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine
CID 102606246
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole
CID 164709946
5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole
CID 164588484
2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole
CID 70261424
2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine
CID 58876902
2-chloro-5-fluoro-4-(furan-3-yl)pyrimidine
CID 79078665
2-chloro-5-fluoro-4-(2-propylpyrazol-3-yl)pyrimidine
CID 79078668
4-(2-chloro-5-fluoropyrimidin-4-yl)-N,N-dimethylaniline
CID 79073427
2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine
CID 79326187

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole (CID 164588493) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole is Cc1nc(C2COC2)sc1-c1nc(Cl)ncc1F.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole?
The InChIKey is LJURFLZBUDRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3OS/c1-5-9(8-7(13)2-14-11(12)16-8)18-10(15-5)6-3-17-4-6/h2,6H,3-4H2,1H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole?
5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole has a molecular weight of 285.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole is sourced from PubChem (CID 164588493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).