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

C15H18FN3S — CID 164631854

IUPAC(2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
SMILESC[C@@H](Cc1ccccc1F)NCc1nnc(C2CC2)s1
InChIInChI=1S/C15H18FN3S/c1-10(8-12-4-2-3-5-13(12)16)17-9-14-18-19-15(20-14)11-6-7-11/h2-5,10-11,17H,6-9H2,1H3/t10-/m0/s1
InChIKeyQMAMYGPMDMUPDV-JTQLQIEISA-N
MW291.39 g/mol
LogP3.28
Rot. Bonds6

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

(2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine (PubChem CID 164631854) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
PubChem CID164631854
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name(2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
SMILESC[C@@H](Cc1ccccc1F)NCc1nnc(C2CC2)s1
InChIInChI=1S/C15H18FN3S/c1-10(8-12-4-2-3-5-13(12)16)17-9-14-18-19-15(20-14)11-6-7-11/h2-5,10-11,17H,6-9H2,1H3/t10-/m0/s1
InChIKeyQMAMYGPMDMUPDV-JTQLQIEISA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine (CID 164631854) is (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine is C[C@@H](Cc1ccccc1F)NCc1nnc(C2CC2)s1.
What is the InChIKey of (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is QMAMYGPMDMUPDV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FN3S/c1-10(8-12-4-2-3-5-13(12)16)17-9-14-18-19-15(20-14)11-6-7-11/h2-5,10-11,17H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
(2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 291.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 164631854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).