N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine

C11H12FN3S2 — CID 66070887

IUPACN-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CSc2cccc(F)c2)ns1
InChIInChI=1S/C11H12FN3S2/c1-2-13-11-14-10(15-17-11)7-16-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyCBDQJMBWKGKMJV-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.40
Rot. Bonds5

About N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine

N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 66070887) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
PubChem CID66070887
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC NameN-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CSc2cccc(F)c2)ns1
InChIInChI=1S/C11H12FN3S2/c1-2-13-11-14-10(15-17-11)7-16-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyCBDQJMBWKGKMJV-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (CID 66070887) is N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is CCNc1nc(CSc2cccc(F)c2)ns1.
What is the InChIKey of N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CBDQJMBWKGKMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-2-13-11-14-10(15-17-11)7-16-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 269.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66070887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).