N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide

C21H16FN5O4S2 — CID 87230514

IUPACN-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide
SMILESCOc1ccccc1Oc1cc(F)ccc1NC(=O)C(=O)Nc1ncc(Sc2ncc[nH]2)s1
InChIInChI=1S/C21H16FN5O4S2/c1-30-14-4-2-3-5-15(14)31-16-10-12(22)6-7-13(16)26-18(28)19(29)27-21-25-11-17(33-21)32-20-23-8-9-24-20/h2-11H,1H3,(H,23,24)(H,26,28)(H,25,27,29)
InChIKeyZRHIHTFABXEVQY-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.53
Rot. Bonds7

About N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide

N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide (PubChem CID 87230514) has the molecular formula C21H16FN5O4S2 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide
PubChem CID87230514
Molecular FormulaC21H16FN5O4S2
Molecular Weight485.52 g/mol
Exact Mass485.06
IUPAC NameN-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide
SMILESCOc1ccccc1Oc1cc(F)ccc1NC(=O)C(=O)Nc1ncc(Sc2ncc[nH]2)s1
InChIInChI=1S/C21H16FN5O4S2/c1-30-14-4-2-3-5-15(14)31-16-10-12(22)6-7-13(16)26-18(28)19(29)27-21-25-11-17(33-21)32-20-23-8-9-24-20/h2-11H,1H3,(H,23,24)(H,26,28)(H,25,27,29)
InChIKeyZRHIHTFABXEVQY-UHFFFAOYSA-N
XLogP4.53
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide 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'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenoxy)phenyl]propanediamide
CID 87231345
N-[2-(2-methoxyphenoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)oxamide
CID 87231555
N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-N-[2-(2-methylpropoxy)phenyl]propanediamide
CID 87231084
1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea
CID 87230389
2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-pyridin-2-ylsulfanyl-1,3-thiazol-4-yl]acetic acid
CID 87231196
N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide
CID 173137532
N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-(5-methylsulfanyl-1,3-thiazol-2-yl)propanediamide
CID 87230096
[[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoyl]amino] 4-[2-(2-methoxybenzoyl)-4-methyl-N-[[5-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazol-2-yl]carbamoyl]anilino]-4-[2-[[2-(2-methoxybenzoyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-5-yl]butanoate
CID 87418941
2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-methylsulfonyl-1,3-thiazol-4-yl]acetic acid
CID 87229934
N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide
CID 87230886
N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide
CID 87230721
N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide
CID 87417128

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide?
The IUPAC name of N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide (CID 87230514) is N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide.
What is the SMILES notation for N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide?
The canonical SMILES for N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide is COc1ccccc1Oc1cc(F)ccc1NC(=O)C(=O)Nc1ncc(Sc2ncc[nH]2)s1.
What is the InChIKey of N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide?
The InChIKey is ZRHIHTFABXEVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O4S2/c1-30-14-4-2-3-5-15(14)31-16-10-12(22)6-7-13(16)26-18(28)19(29)27-21-25-11-17(33-21)32-20-23-8-9-24-20/h2-11H,1H3,(H,23,24)(H,26,28)(H,25,27,29).
What are the key properties of N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide?
N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide has a molecular weight of 485.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide is sourced from PubChem (CID 87230514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).