1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine

C15H19N3S — CID 61285826

IUPAC1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCc3nccs3)C2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-13(5-3-1)11-18-8-6-14(12-18)17-10-15-16-7-9-19-15/h1-5,7,9,14,17H,6,8,10-12H2
InChIKeyDBPFPVHIYAHVRK-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.51
Rot. Bonds5

About 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine

1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 61285826) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
PubChem CID61285826
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NCc3nccs3)C2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-13(5-3-1)11-18-8-6-14(12-18)17-10-15-16-7-9-19-15/h1-5,7,9,14,17H,6,8,10-12H2
InChIKeyDBPFPVHIYAHVRK-UHFFFAOYSA-N
XLogP2.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 53272644
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 56718052
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine (CID 61285826) is 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine is c1ccc(CN2CCC(NCc3nccs3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is DBPFPVHIYAHVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-4-13(5-3-1)11-18-8-6-14(12-18)17-10-15-16-7-9-19-15/h1-5,7,9,14,17H,6,8,10-12H2.
What are the key properties of 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine?
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 273.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 61285826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).