N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide

C17H10F3N3O4S — CID 9492640

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C17H10F3N3O4S/c18-9-1-3-12(20)11(5-9)13-8-28-17(21-13)22-16(24)7-27-15-6-10(19)2-4-14(15)23(25)26/h1-6,8H,7H2,(H,21,22,24)
InChIKeyCTRZVEFOROQJDY-UHFFFAOYSA-N
MW409.35 g/mol
LogP4.15
Rot. Bonds6

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 9492640) has the molecular formula C17H10F3N3O4S and a molecular weight of 409.35 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID9492640
Molecular FormulaC17H10F3N3O4S
Molecular Weight409.35 g/mol
Exact Mass409.03
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C17H10F3N3O4S/c18-9-1-3-12(20)11(5-9)13-8-28-17(21-13)22-16(24)7-27-15-6-10(19)2-4-14(15)23(25)26/h1-6,8H,7H2,(H,21,22,24)
InChIKeyCTRZVEFOROQJDY-UHFFFAOYSA-N
XLogP4.15
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8873298
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 8839185
methyl 3-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethoxy]-4-nitrobenzoate
CID 55753653
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26207842
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51184950
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 9492640) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is CTRZVEFOROQJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O4S/c18-9-1-3-12(20)11(5-9)13-8-28-17(21-13)22-16(24)7-27-15-6-10(19)2-4-14(15)23(25)26/h1-6,8H,7H2,(H,21,22,24).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 409.35 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 9492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).