N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide

C21H20FN3O3S — CID 7222987

IUPACN'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-13-18(29-21(24-13)14-7-9-15(28-2)10-8-14)11-12-23-19(26)20(27)25-17-6-4-3-5-16(17)22/h3-10H,11-12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyUGXLDQJBPRCKEA-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.56
Rot. Bonds6

About N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide

N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 7222987) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID7222987
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-13-18(29-21(24-13)14-7-9-15(28-2)10-8-14)11-12-23-19(26)20(27)25-17-6-4-3-5-16(17)22/h3-10H,11-12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyUGXLDQJBPRCKEA-UHFFFAOYSA-N
XLogP3.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]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

FR-122047
CID 196841
N-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)acetamide
CID 24901588
N-(1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)acetamide
CID 24901591
1-((4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
CID 196840
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide (CID 7222987) is N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide is COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2)cc1.
What is the InChIKey of N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is UGXLDQJBPRCKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-13-18(29-21(24-13)14-7-9-15(28-2)10-8-14)11-12-23-19(26)20(27)25-17-6-4-3-5-16(17)22/h3-10H,11-12H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 413.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 7222987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).