2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

C21H24N4O2S — CID 125418925

IUPAC2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESNc1csc(CC(=O)Nc2ccc(CCNC[C@@H](O)c3ccccc3)cc2)n1
InChIInChI=1S/C21H24N4O2S/c22-19-14-28-21(25-19)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-18(26)16-4-2-1-3-5-16/h1-9,14,18,23,26H,10-13,22H2,(H,24,27)/t18-/m1/s1
InChIKeyBZSURCHRZIYBHU-GOSISDBHSA-N
MW396.52 g/mol
LogP2.77
Rot. Bonds9

About 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 125418925) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
PubChem CID125418925
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESNc1csc(CC(=O)Nc2ccc(CCNC[C@@H](O)c3ccccc3)cc2)n1
InChIInChI=1S/C21H24N4O2S/c22-19-14-28-21(25-19)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-18(26)16-4-2-1-3-5-16/h1-9,14,18,23,26H,10-13,22H2,(H,24,27)/t18-/m1/s1
InChIKeyBZSURCHRZIYBHU-GOSISDBHSA-N
XLogP2.77
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 140665357
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;ethane
CID 144990968
2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;dihydrochloride
CID 18319828
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825
2-(2-acetamido-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319845
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46192969
2-(2-formamido-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 118884026
2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 18319720
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-methylpropanamide
CID 18319742
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
CID 18319731
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 123534088
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 172970238

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide (CID 125418925) is 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide is Nc1csc(CC(=O)Nc2ccc(CCNC[C@@H](O)c3ccccc3)cc2)n1.
What is the InChIKey of 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is BZSURCHRZIYBHU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O2S/c22-19-14-28-21(25-19)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-18(26)16-4-2-1-3-5-16/h1-9,14,18,23,26H,10-13,22H2,(H,24,27)/t18-/m1/s1.
What are the key properties of 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide?
2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 2.77, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 125418925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).