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

C12H14FN3S2 — CID 66070889

IUPAC3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(CSc2cccc(F)c2)ns1
InChIInChI=1S/C12H14FN3S2/c1-8(2)14-12-15-11(16-18-12)7-17-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyFHHQSEPGIIRJIZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.79
Rot. Bonds5

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

3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 66070889) has the molecular formula C12H14FN3S2 and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID66070889
Molecular FormulaC12H14FN3S2
Molecular Weight283.40 g/mol
Exact Mass283.06
IUPAC Name3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(CSc2cccc(F)c2)ns1
InChIInChI=1S/C12H14FN3S2/c1-8(2)14-12-15-11(16-18-12)7-17-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyFHHQSEPGIIRJIZ-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 66070889) is 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(CSc2cccc(F)c2)ns1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is FHHQSEPGIIRJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S2/c1-8(2)14-12-15-11(16-18-12)7-17-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 283.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfanylmethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66070889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).