3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine

C17H17F2N3S — CID 141143910

IUPAC3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCC[C@@]1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1
InChIInChI=1S/C17H17F2N3S/c18-13-7-8-15(19)14(11-13)16-21-22-17(23-16,9-4-10-20)12-5-2-1-3-6-12/h1-3,5-8,11,22H,4,9-10,20H2/t17-/m1/s1
InChIKeyUVCOLKPJYWMXMO-QGZVFWFLSA-N
MW333.41 g/mol
LogP3.55
Rot. Bonds5

About 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine

3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 141143910) has the molecular formula C17H17F2N3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID141143910
Molecular FormulaC17H17F2N3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCC[C@@]1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1
InChIInChI=1S/C17H17F2N3S/c18-13-7-8-15(19)14(11-13)16-21-22-17(23-16,9-4-10-20)12-5-2-1-3-6-12/h1-3,5-8,11,22H,4,9-10,20H2/t17-/m1/s1
InChIKeyUVCOLKPJYWMXMO-QGZVFWFLSA-N
XLogP3.55
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 3704631
2-(3-Fluorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 4395503
(7Z)-7-benzylidene-3-phenyl-2,3,3a,4-tetrahydrothiopyrano[4,3-c]pyrazole
CID 15567418
Mrnsnacrabgadq-uhfffaoysa-
CID 4585660
2-(4-Fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871209
(6R)-3,6-bis(3-fluorophenyl)-1,4,5,6-tetrahydropyridazine
CID 139167712
(r,s)-5-Phenyl-2-p-tolyl-2,3-dihydro-[1,3,4]thiadiazole
CID 12885169
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole
CID 2871289
5-(4-fluorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4738343
1-[2-(3-Aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]propan-1-one
CID 11545567
Methyl 2-(3-aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazole-3-carboxylate
CID 11567325
3-[5-(2,5-Difluorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 11959751

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 141143910) is 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine is NCCC[C@@]1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1.
What is the InChIKey of 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is UVCOLKPJYWMXMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17F2N3S/c18-13-7-8-15(19)14(11-13)16-21-22-17(23-16,9-4-10-20)12-5-2-1-3-6-12/h1-3,5-8,11,22H,4,9-10,20H2/t17-/m1/s1.
What are the key properties of 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 333.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 141143910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).