N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C25H26N4O3S — CID 25350399

IUPACN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c2nccn2C)cc1
InChIInChI=1S/C25H26N4O3S/c1-17-4-8-21(9-5-17)32-15-23-27-19(16-33-23)14-22(30)28-24(25-26-12-13-29(25)2)18-6-10-20(31-3)11-7-18/h4-13,16,24H,14-15H2,1-3H3,(H,28,30)/t24-/m1/s1
InChIKeyQRIOANFBLHVPFA-XMMPIXPASA-N
MW462.58 g/mol
LogP4.22
Rot. Bonds9

About N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 25350399) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID25350399
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c2nccn2C)cc1
InChIInChI=1S/C25H26N4O3S/c1-17-4-8-21(9-5-17)32-15-23-27-19(16-33-23)14-22(30)28-24(25-26-12-13-29(25)2)18-6-10-20(31-3)11-7-18/h4-13,16,24H,14-15H2,1-3H3,(H,28,30)/t24-/m1/s1
InChIKeyQRIOANFBLHVPFA-XMMPIXPASA-N
XLogP4.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18100503
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513
4-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 134024637
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25389914
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640698
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55521199
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86964877
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 25350399) is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is COc1ccc([C@@H](NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c2nccn2C)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is QRIOANFBLHVPFA-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-17-4-8-21(9-5-17)32-15-23-27-19(16-33-23)14-22(30)28-24(25-26-12-13-29(25)2)18-6-10-20(31-3)11-7-18/h4-13,16,24H,14-15H2,1-3H3,(H,28,30)/t24-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 462.58 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 25350399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).