5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C14H17N3S — CID 79772023

IUPAC5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(c3ccccc3)C2)s1
InChIInChI=1S/C14H17N3S/c15-14-16-8-13(18-14)10-17-7-6-12(9-17)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H2,15,16)
InChIKeyAKJJYRRXCGYWDQ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.71
Rot. Bonds3

About 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79772023) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79772023
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(c3ccccc3)C2)s1
InChIInChI=1S/C14H17N3S/c15-14-16-8-13(18-14)10-17-7-6-12(9-17)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H2,15,16)
InChIKeyAKJJYRRXCGYWDQ-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 79772023) is 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(c3ccccc3)C2)s1.
What is the InChIKey of 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is AKJJYRRXCGYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-14-16-8-13(18-14)10-17-7-6-12(9-17)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H2,15,16).
What are the key properties of 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).