2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide

C24H23N5O4S — CID 67010843

IUPAC2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide
SMILESO=C(Cc1cnc[nH]1)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C24H23N5O4S/c30-22(12-19-13-25-16-27-19)29-21(15-32-14-17-4-2-1-3-5-17)23(31)28-18-6-8-20(9-7-18)33-24-26-10-11-34-24/h1-11,13,16,21H,12,14-15H2,(H,25,27)(H,28,31)(H,29,30)
InChIKeyWYQXOCUIKOEHSS-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.54
Rot. Bonds11

About 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide

2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide (PubChem CID 67010843) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide
PubChem CID67010843
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide
SMILESO=C(Cc1cnc[nH]1)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C24H23N5O4S/c30-22(12-19-13-25-16-27-19)29-21(15-32-14-17-4-2-1-3-5-17)23(31)28-18-6-8-20(9-7-18)33-24-26-10-11-34-24/h1-11,13,16,21H,12,14-15H2,(H,25,27)(H,28,31)(H,29,30)
InChIKeyWYQXOCUIKOEHSS-UHFFFAOYSA-N
XLogP3.54
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-chlorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxypropanamide
CID 67010623
N-[(2S)-4-[4-[(5-bromo-1,3-thiazol-2-yl)oxy]phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-(1H-imidazol-5-yl)acetamide
CID 58522903
N-[4-(4-fluorophenoxy)phenyl]-2-[[2-[2-(1H-imidazol-5-yl)ethylamino]acetyl]amino]-3-phenylmethoxypropanamide
CID 67009447
N-[2-(aminomethyl)-4-(4-fluorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxypropanamide
CID 174636588
(2S)-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxy-2-[(2-pyridin-3-ylacetyl)amino]propanamide
CID 67010683
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 58523106
(2S)-N-[4-(4-fluorophenoxy)phenyl]-2-[(2-imidazol-1-ylacetyl)amino]-3-phenylmethoxypropanamide
CID 67010172
2-[[2-(3-chlorophenyl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009628
2-[(2-chloroacetyl)amino]-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010267
(3S)-3-hydroxy-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-3-phenylpropanamide
CID 90323705
(2S)-2-[[2-(1H-indol-4-yl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009152
N-[(2S)-4-[4-(4-chlorophenoxy)phenyl]-1-[(4-fluorophenyl)methoxy]-3-oxobutan-2-yl]-2-(1H-imidazol-5-yl)acetamide
CID 58522968

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide?
The IUPAC name of 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide (CID 67010843) is 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide.
What is the SMILES notation for 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide?
The canonical SMILES for 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide is O=C(Cc1cnc[nH]1)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2nccs2)cc1.
What is the InChIKey of 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide?
The InChIKey is WYQXOCUIKOEHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c30-22(12-19-13-25-16-27-19)29-21(15-32-14-17-4-2-1-3-5-17)23(31)28-18-6-8-20(9-7-18)33-24-26-10-11-34-24/h1-11,13,16,21H,12,14-15H2,(H,25,27)(H,28,31)(H,29,30).
What are the key properties of 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide?
2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide has a molecular weight of 477.55 g/mol, XLogP of 3.54, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide is sourced from PubChem (CID 67010843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).