(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

C20H23N5S — CID 52510560

IUPAC(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESc1ccc([C@@H](CNCc2csc(-c3ncccn3)n2)N2CCCC2)cc1
InChIInChI=1S/C20H23N5S/c1-2-7-16(8-3-1)18(25-11-4-5-12-25)14-21-13-17-15-26-20(24-17)19-22-9-6-10-23-19/h1-3,6-10,15,18,21H,4-5,11-14H2/t18-/m1/s1
InChIKeyROYDEGSGUNEGBK-GOSISDBHSA-N
MW365.51 g/mol
LogP3.53
Rot. Bonds7

About (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 52510560) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID52510560
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESc1ccc([C@@H](CNCc2csc(-c3ncccn3)n2)N2CCCC2)cc1
InChIInChI=1S/C20H23N5S/c1-2-7-16(8-3-1)18(25-11-4-5-12-25)14-21-13-17-15-26-20(24-17)19-22-9-6-10-23-19/h1-3,6-10,15,18,21H,4-5,11-14H2/t18-/m1/s1
InChIKeyROYDEGSGUNEGBK-GOSISDBHSA-N
XLogP3.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine with MolForge

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Related Compounds

2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
(2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 52511205
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008768
1-[(2R)-2-phenyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]azepan-2-one
CID 52908937
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 47052375
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
CID 131938718
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 52510560) is (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is c1ccc([C@@H](CNCc2csc(-c3ncccn3)n2)N2CCCC2)cc1.
What is the InChIKey of (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is ROYDEGSGUNEGBK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5S/c1-2-7-16(8-3-1)18(25-11-4-5-12-25)14-21-13-17-15-26-20(24-17)19-22-9-6-10-23-19/h1-3,6-10,15,18,21H,4-5,11-14H2/t18-/m1/s1.
What are the key properties of (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 365.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 52510560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).