(1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine

C14H15F2N3S — CID 164630635

IUPAC(1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine
SMILESFC(F)[C@H](NCc1nnc(C2CC2)s1)c1ccccc1
InChIInChI=1S/C14H15F2N3S/c15-13(16)12(9-4-2-1-3-5-9)17-8-11-18-19-14(20-11)10-6-7-10/h1-5,10,12-13,17H,6-8H2/t12-/m1/s1
InChIKeyFNSQEGFJWJGDFX-GFCCVEGCSA-N
MW295.36 g/mol
LogP3.51
Rot. Bonds6

About (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine

(1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine (PubChem CID 164630635) has the molecular formula C14H15F2N3S and a molecular weight of 295.36 g/mol. Its IUPAC name is (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine
PubChem CID164630635
Molecular FormulaC14H15F2N3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name(1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine
SMILESFC(F)[C@H](NCc1nnc(C2CC2)s1)c1ccccc1
InChIInChI=1S/C14H15F2N3S/c15-13(16)12(9-4-2-1-3-5-9)17-8-11-18-19-14(20-11)10-6-7-10/h1-5,10,12-13,17H,6-8H2/t12-/m1/s1
InChIKeyFNSQEGFJWJGDFX-GFCCVEGCSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine?
The IUPAC name of (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine (CID 164630635) is (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine is FC(F)[C@H](NCc1nnc(C2CC2)s1)c1ccccc1.
What is the InChIKey of (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine?
The InChIKey is FNSQEGFJWJGDFX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15F2N3S/c15-13(16)12(9-4-2-1-3-5-9)17-8-11-18-19-14(20-11)10-6-7-10/h1-5,10,12-13,17H,6-8H2/t12-/m1/s1.
What are the key properties of (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine?
(1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine has a molecular weight of 295.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-difluoro-1-phenylethanamine is sourced from PubChem (CID 164630635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).