N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine

C11H13FN4S — CID 66878490

IUPACN'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(Cc2ccccc2F)ns1
InChIInChI=1S/C11H13FN4S/c12-9-4-2-1-3-8(9)7-10-15-11(17-16-10)14-6-5-13/h1-4H,5-7,13H2,(H,14,15,16)
InChIKeyLVGFAUMOKYJOIL-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.64
Rot. Bonds5

About N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine

N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (PubChem CID 66878490) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
PubChem CID66878490
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC NameN'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(Cc2ccccc2F)ns1
InChIInChI=1S/C11H13FN4S/c12-9-4-2-1-3-8(9)7-10-15-11(17-16-10)14-6-5-13/h1-4H,5-7,13H2,(H,14,15,16)
InChIKeyLVGFAUMOKYJOIL-UHFFFAOYSA-N
XLogP1.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (CID 66878490) is N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is NCCNc1nc(Cc2ccccc2F)ns1.
What is the InChIKey of N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is LVGFAUMOKYJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c12-9-4-2-1-3-8(9)7-10-15-11(17-16-10)14-6-5-13/h1-4H,5-7,13H2,(H,14,15,16).
What are the key properties of N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 66878490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).