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

C16H21N3S — CID 61283477

IUPAC1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
SMILESc1ccc(CCN2CCC(NCc3nccs3)C2)cc1
InChIInChI=1S/C16H21N3S/c1-2-4-14(5-3-1)6-9-19-10-7-15(13-19)18-12-16-17-8-11-20-16/h1-5,8,11,15,18H,6-7,9-10,12-13H2
InChIKeyDNZFNOLFALGXFM-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.55
Rot. Bonds6

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

1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 61283477) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
PubChem CID61283477
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
SMILESc1ccc(CCN2CCC(NCc3nccs3)C2)cc1
InChIInChI=1S/C16H21N3S/c1-2-4-14(5-3-1)6-9-19-10-7-15(13-19)18-12-16-17-8-11-20-16/h1-5,8,11,15,18H,6-7,9-10,12-13H2
InChIKeyDNZFNOLFALGXFM-UHFFFAOYSA-N
XLogP2.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine
CID 79692331
N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 106415219
N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
CID 63242038
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
CID 155501199
3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine
CID 174350216
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
CID 83010441

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine (CID 61283477) is 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine is c1ccc(CCN2CCC(NCc3nccs3)C2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is DNZFNOLFALGXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-4-14(5-3-1)6-9-19-10-7-15(13-19)18-12-16-17-8-11-20-16/h1-5,8,11,15,18H,6-7,9-10,12-13H2.
What are the key properties of 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine?
1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 287.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 61283477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).