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

C12H14FN3S2 — CID 55018850

IUPAC1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1nnc(SC(c2ccccc2F)C(C)N)s1
InChIInChI=1S/C12H14FN3S2/c1-7(14)11(9-5-3-4-6-10(9)13)18-12-16-15-8(2)17-12/h3-7,11H,14H2,1-2H3
InChIKeyUEHORGYVBLOEKG-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.17
Rot. Bonds4

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

1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 55018850) has the molecular formula C12H14FN3S2 and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
PubChem CID55018850
Molecular FormulaC12H14FN3S2
Molecular Weight283.40 g/mol
Exact Mass283.06
IUPAC Name1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1nnc(SC(c2ccccc2F)C(C)N)s1
InChIInChI=1S/C12H14FN3S2/c1-7(14)11(9-5-3-4-6-10(9)13)18-12-16-15-8(2)17-12/h3-7,11H,14H2,1-2H3
InChIKeyUEHORGYVBLOEKG-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine (CID 55018850) is 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine is Cc1nnc(SC(c2ccccc2F)C(C)N)s1.
What is the InChIKey of 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is UEHORGYVBLOEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S2/c1-7(14)11(9-5-3-4-6-10(9)13)18-12-16-15-8(2)17-12/h3-7,11H,14H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 55018850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).