3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile

C11H9FN4S — CID 66423334

IUPAC3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile
SMILESCCNc1nnc(-c2cc(F)cc(C#N)c2)s1
InChIInChI=1S/C11H9FN4S/c1-2-14-11-16-15-10(17-11)8-3-7(6-13)4-9(12)5-8/h3-5H,2H2,1H3,(H,14,16)
InChIKeyJPWUAMJFMIFGDP-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.65
Rot. Bonds3

About 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile

3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile (PubChem CID 66423334) has the molecular formula C11H9FN4S and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile
PubChem CID66423334
Molecular FormulaC11H9FN4S
Molecular Weight248.29 g/mol
Exact Mass248.05
IUPAC Name3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile
SMILESCCNc1nnc(-c2cc(F)cc(C#N)c2)s1
InChIInChI=1S/C11H9FN4S/c1-2-14-11-16-15-10(17-11)8-3-7(6-13)4-9(12)5-8/h3-5H,2H2,1H3,(H,14,16)
InChIKeyJPWUAMJFMIFGDP-UHFFFAOYSA-N
XLogP2.65
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-5-[5-(propylamino)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 66423127
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037154
3-(3,4-dichlorophenyl)-5-fluorobenzonitrile
CID 134623269
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]benzaldehyde
CID 87317532
5-(4-ethenylphenyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 67236305
3-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]-5-fluorobenzonitrile
CID 82772148
N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 61037549
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile
CID 102815682
3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile
CID 102818911
N-ethyl-5-quinolin-7-yl-1,3,4-thiadiazol-2-amine
CID 81222139
N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 122588918

Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile?
The IUPAC name of 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile (CID 66423334) is 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile?
The canonical SMILES for 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile is CCNc1nnc(-c2cc(F)cc(C#N)c2)s1.
What is the InChIKey of 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile?
The InChIKey is JPWUAMJFMIFGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4S/c1-2-14-11-16-15-10(17-11)8-3-7(6-13)4-9(12)5-8/h3-5H,2H2,1H3,(H,14,16).
What are the key properties of 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile?
3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 66423334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).