N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide

C17H20FN3O2S — CID 7522183

IUPACN'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2S/c1-17(2,3)21-15(23)14(22)19-9-8-13-10-24-16(20-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyFABNSRHUODDIQV-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.52
Rot. Bonds4

About N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide

N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7522183) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7522183
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2S/c1-17(2,3)21-15(23)14(22)19-9-8-13-10-24-16(20-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyFABNSRHUODDIQV-UHFFFAOYSA-N
XLogP2.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.52
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

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518421
ethyl 2-oxo-2-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethylamino]acetate
CID 7163682
2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 43843753
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-2-yl]benzoic acid
CID 83526215
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7522183) is N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is CC(C)(C)NC(=O)C(=O)NCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is FABNSRHUODDIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-17(2,3)21-15(23)14(22)19-9-8-13-10-24-16(20-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 349.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7522183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).