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

C11H10F2N2S — CID 126611875

IUPAC2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(Cc2cc(F)ccc2F)s1
InChIInChI=1S/C11H10F2N2S/c1-2-10-14-15-11(16-10)6-7-5-8(12)3-4-9(7)13/h3-5H,2,6H2,1H3
InChIKeyCEKBTAIVTSCSBA-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.97
Rot. Bonds3

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

2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole (PubChem CID 126611875) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole
PubChem CID126611875
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(Cc2cc(F)ccc2F)s1
InChIInChI=1S/C11H10F2N2S/c1-2-10-14-15-11(16-10)6-7-5-8(12)3-4-9(7)13/h3-5H,2,6H2,1H3
InChIKeyCEKBTAIVTSCSBA-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole
CID 126611872
2-ethyl-1,4-difluorobenzene
CID 23202513
2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 68882074
3-[5-[(2,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(2S)-2-hydroxypropyl]urea
CID 167288107
5-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934002
5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole
CID 130314674
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
5-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-amine
CID 16769831
2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970138
2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 82482171
N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 60957947
5-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865662

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole (CID 126611875) is 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole is CCc1nnc(Cc2cc(F)ccc2F)s1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole?
The InChIKey is CEKBTAIVTSCSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-2-10-14-15-11(16-10)6-7-5-8(12)3-4-9(7)13/h3-5H,2,6H2,1H3.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole?
2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole has a molecular weight of 240.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 126611875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).