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

C20H17ClFN3O2S — CID 20965684

IUPACN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H17ClFN3O2S/c1-12-17(28-20(24-12)13-5-7-14(21)8-6-13)9-10-23-18(26)19(27)25-16-4-2-3-15(22)11-16/h2-8,11H,9-10H2,1H3,(H,23,26)(H,25,27)
InChIKeyKVWVXLOVBXCRCC-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.21
Rot. Bonds5

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

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide (PubChem CID 20965684) has the molecular formula C20H17ClFN3O2S and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide
PubChem CID20965684
Molecular FormulaC20H17ClFN3O2S
Molecular Weight417.89 g/mol
Exact Mass417.07
IUPAC NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H17ClFN3O2S/c1-12-17(28-20(24-12)13-5-7-14(21)8-6-13)9-10-23-18(26)19(27)25-16-4-2-3-15(22)11-16/h2-8,11H,9-10H2,1H3,(H,23,26)(H,25,27)
InChIKeyKVWVXLOVBXCRCC-UHFFFAOYSA-N
XLogP4.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ncats-SM5637
CID 139373943
N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 2744454
N-(2-(2-(4-chlorophenyl)-1,3-thiazol-4-yl)ethyl)butanamide
CID 7518316
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,3-benzothiazole-2-carboxamide
CID 24758298
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-N-[2-(methylamino)ethyl]-6-oxopyridine-3-carboxamide
CID 137547952
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-N-[3-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 137547986
4-[5-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-(2-methylprop-1-enyl)-6-oxopyridine-3-carbonyl]piperazin-2-one
CID 137547991
N-(2-aminoethyl)-5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
CID 137548379
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-6-methyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548382
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-1-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548387
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-N-(2-methylpropyl)-6-oxopyridine-3-carboxamide
CID 137548627
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2-ethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548878

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide (CID 20965684) is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide is Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
The InChIKey is KVWVXLOVBXCRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2S/c1-12-17(28-20(24-12)13-5-7-14(21)8-6-13)9-10-23-18(26)19(27)25-16-4-2-3-15(22)11-16/h2-8,11H,9-10H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide?
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide has a molecular weight of 417.89 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3-fluorophenyl)oxamide is sourced from PubChem (CID 20965684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).