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

C15H19N3S — CID 120898543

IUPAC5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(Cc3ccccc3)C2)s1
InChIInChI=1S/C15H19N3S/c16-15-17-9-14(19-15)11-18-7-6-13(10-18)8-12-4-2-1-3-5-12/h1-5,9,13H,6-8,10-11H2,(H2,16,17)
InChIKeyWELBIPLIVKPCCW-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.79
Rot. Bonds4

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

5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120898543) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120898543
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(Cc3ccccc3)C2)s1
InChIInChI=1S/C15H19N3S/c16-15-17-9-14(19-15)11-18-7-6-13(10-18)8-12-4-2-1-3-5-12/h1-5,9,13H,6-8,10-11H2,(H2,16,17)
InChIKeyWELBIPLIVKPCCW-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97118512
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120905673
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080

Frequently Asked Questions

What is the IUPAC name of 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 120898543) is 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(Cc3ccccc3)C2)s1.
What is the InChIKey of 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WELBIPLIVKPCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-15-17-9-14(19-15)11-18-7-6-13(10-18)8-12-4-2-1-3-5-12/h1-5,9,13H,6-8,10-11H2,(H2,16,17).
What are the key properties of 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120898543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).