(3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine

C17H22N4S — CID 128870472

IUPAC(3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(c2nc(C3CCCC3)ns2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H22N4S/c18-15-11-21(10-14(15)12-6-2-1-3-7-12)17-19-16(20-22-17)13-8-4-5-9-13/h1-3,6-7,13-15H,4-5,8-11,18H2/t14-,15+/m0/s1
InChIKeyVFMFHGRTFRKREU-LSDHHAIUSA-N
MW314.46 g/mol
LogP3.13
Rot. Bonds3

About (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine

(3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine (PubChem CID 128870472) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine
PubChem CID128870472
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name(3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(c2nc(C3CCCC3)ns2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H22N4S/c18-15-11-21(10-14(15)12-6-2-1-3-7-12)17-19-16(20-22-17)13-8-4-5-9-13/h1-3,6-7,13-15H,4-5,8-11,18H2/t14-,15+/m0/s1
InChIKeyVFMFHGRTFRKREU-LSDHHAIUSA-N
XLogP3.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine (CID 128870472) is (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine is N[C@@H]1CN(c2nc(C3CCCC3)ns2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine?
The InChIKey is VFMFHGRTFRKREU-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N4S/c18-15-11-21(10-14(15)12-6-2-1-3-7-12)17-19-16(20-22-17)13-8-4-5-9-13/h1-3,6-7,13-15H,4-5,8-11,18H2/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine has a molecular weight of 314.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 128870472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).