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

C23H26N4O3S — CID 175404239

IUPACN-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide
SMILESCC(=O)N(CCc1ccc(NC(=O)Cc2csc(N)n2)cc1)CC(O)c1ccccc1
InChIInChI=1S/C23H26N4O3S/c1-16(28)27(14-21(29)18-5-3-2-4-6-18)12-11-17-7-9-19(10-8-17)25-22(30)13-20-15-31-23(24)26-20/h2-10,15,21,29H,11-14H2,1H3,(H2,24,26)(H,25,30)
InChIKeyJTHKFZQXIXOCNE-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.03
Rot. Bonds9

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

N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide (PubChem CID 175404239) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide
PubChem CID175404239
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide
SMILESCC(=O)N(CCc1ccc(NC(=O)Cc2csc(N)n2)cc1)CC(O)c1ccccc1
InChIInChI=1S/C23H26N4O3S/c1-16(28)27(14-21(29)18-5-3-2-4-6-18)12-11-17-7-9-19(10-8-17)25-22(30)13-20-15-31-23(24)26-20/h2-10,15,21,29H,11-14H2,1H3,(H2,24,26)(H,25,30)
InChIKeyJTHKFZQXIXOCNE-UHFFFAOYSA-N
XLogP3.03
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[4-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]acetamide
CID 125292950
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[4-hydroxybutyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 123604327
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide
CID 58214057
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;ethane
CID 144990968
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 140665357
tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetyl]amino]phenyl]ethyl]carbamate
CID 155703578
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide
CID 58213889
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(3-methylbutyl)phenyl]acetamide
CID 167218752
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(1R)-1-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 174516938
2-(2-acetamido-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319845
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane
CID 159058119
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]ethyl-pent-4-enylcarbamic acid
CID 167005217

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide (CID 175404239) is N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide is CC(=O)N(CCc1ccc(NC(=O)Cc2csc(N)n2)cc1)CC(O)c1ccccc1.
What is the InChIKey of N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The InChIKey is JTHKFZQXIXOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16(28)27(14-21(29)18-5-3-2-4-6-18)12-11-17-7-9-19(10-8-17)25-22(30)13-20-15-31-23(24)26-20/h2-10,15,21,29H,11-14H2,1H3,(H2,24,26)(H,25,30).
What are the key properties of N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide?
N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.03, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 175404239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).