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

C10H10FN3S2 — CID 66083854

IUPAC3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CSc2ccccc2F)ns1
InChIInChI=1S/C10H10FN3S2/c1-12-10-13-9(14-16-10)6-15-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyMILFEGSXNUOTHV-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.01
Rot. Bonds4

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

3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 66083854) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID66083854
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CSc2ccccc2F)ns1
InChIInChI=1S/C10H10FN3S2/c1-12-10-13-9(14-16-10)6-15-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyMILFEGSXNUOTHV-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 66083854) is 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(CSc2ccccc2F)ns1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MILFEGSXNUOTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c1-12-10-13-9(14-16-10)6-15-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 255.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66083854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).