5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole

C12H11F2NS — CID 130314674

IUPAC5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1ncc(Cc2ccc(F)cc2F)s1
InChIInChI=1S/C12H11F2NS/c1-2-12-15-7-10(16-12)5-8-3-4-9(13)6-11(8)14/h3-4,6-7H,2,5H2,1H3
InChIKeyDZGKMXGZBQFEPQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.57
Rot. Bonds3

About 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole

5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole (PubChem CID 130314674) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole
PubChem CID130314674
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1ncc(Cc2ccc(F)cc2F)s1
InChIInChI=1S/C12H11F2NS/c1-2-12-15-7-10(16-12)5-8-3-4-9(13)6-11(8)14/h3-4,6-7H,2,5H2,1H3
InChIKeyDZGKMXGZBQFEPQ-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpentanamide;hydrochloride
CID 119752322
(2S)-2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119305393
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 51125724
5-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-amine
CID 16769831
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120987384
2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 83078204
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119751025
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine
CID 83108024
2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole
CID 126611875
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956995

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole (CID 130314674) is 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole is CCc1ncc(Cc2ccc(F)cc2F)s1.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole?
The InChIKey is DZGKMXGZBQFEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-2-12-15-7-10(16-12)5-8-3-4-9(13)6-11(8)14/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole?
5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole has a molecular weight of 239.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 130314674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).