2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine

C16H21N3S — CID 60696393

IUPAC2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESc1ccc(C(CNCc2cscn2)N2CCCC2)cc1
InChIInChI=1S/C16H21N3S/c1-2-6-14(7-3-1)16(19-8-4-5-9-19)11-17-10-15-12-20-13-18-15/h1-3,6-7,12-13,16-17H,4-5,8-11H2
InChIKeyRBJPPKDKLCWNRC-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.07
Rot. Bonds6

About 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine

2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 60696393) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID60696393
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESc1ccc(C(CNCc2cscn2)N2CCCC2)cc1
InChIInChI=1S/C16H21N3S/c1-2-6-14(7-3-1)16(19-8-4-5-9-19)11-17-10-15-12-20-13-18-15/h1-3,6-7,12-13,16-17H,4-5,8-11H2
InChIKeyRBJPPKDKLCWNRC-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 52510560
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 103624008
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
CID 131938718
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 60696393) is 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine is c1ccc(C(CNCc2cscn2)N2CCCC2)cc1.
What is the InChIKey of 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is RBJPPKDKLCWNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-6-14(7-3-1)16(19-8-4-5-9-19)11-17-10-15-12-20-13-18-15/h1-3,6-7,12-13,16-17H,4-5,8-11H2.
What are the key properties of 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 60696393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).