N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline

C11H14FN5S — CID 80614477

IUPACN-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCCN(Cc1nnc(NN)s1)c1cccc(F)c1
InChIInChI=1S/C11H14FN5S/c1-2-17(9-5-3-4-8(12)6-9)7-10-15-16-11(14-13)18-10/h3-6H,2,7,13H2,1H3,(H,14,16)
InChIKeySYCXZGVMQHRRTO-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.99
Rot. Bonds5

About N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline

N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline (PubChem CID 80614477) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
PubChem CID80614477
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC NameN-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCCN(Cc1nnc(NN)s1)c1cccc(F)c1
InChIInChI=1S/C11H14FN5S/c1-2-17(9-5-3-4-8(12)6-9)7-10-15-16-11(14-13)18-10/h3-6H,2,7,13H2,1H3,(H,14,16)
InChIKeySYCXZGVMQHRRTO-UHFFFAOYSA-N
XLogP1.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline (CID 80614477) is N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline is CCN(Cc1nnc(NN)s1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The InChIKey is SYCXZGVMQHRRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-2-17(9-5-3-4-8(12)6-9)7-10-15-16-11(14-13)18-10/h3-6H,2,7,13H2,1H3,(H,14,16).
What are the key properties of N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline has a molecular weight of 267.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 80614477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).