N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide

C18H14F2N4O4S — CID 56573359

IUPACN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide
SMILESO=C(CNc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2OC(F)F)cs1
InChIInChI=1S/C18H14F2N4O4S/c19-17(20)28-15-8-4-1-5-11(15)13-10-29-18(22-13)23-16(25)9-21-12-6-2-3-7-14(12)24(26)27/h1-8,10,17,21H,9H2,(H,22,23,25)
InChIKeyXEXUPAYFBCHHSL-UHFFFAOYSA-N
MW420.40 g/mol
LogP4.37
Rot. Bonds8

About N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide

N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide (PubChem CID 56573359) has the molecular formula C18H14F2N4O4S and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide
PubChem CID56573359
Molecular FormulaC18H14F2N4O4S
Molecular Weight420.40 g/mol
Exact Mass420.07
IUPAC NameN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide
SMILESO=C(CNc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2OC(F)F)cs1
InChIInChI=1S/C18H14F2N4O4S/c19-17(20)28-15-8-4-1-5-11(15)13-10-29-18(22-13)23-16(25)9-21-12-6-2-3-7-14(12)24(26)27/h1-8,10,17,21H,9H2,(H,22,23,25)
InChIKeyXEXUPAYFBCHHSL-UHFFFAOYSA-N
XLogP4.37
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 86885324
2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 10450021
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide
CID 16962407
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55677481
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide
CID 16962942
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide
CID 19219294
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-nitrophenoxy)butanamide
CID 84560881
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119317540
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55677425

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide?
The IUPAC name of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide (CID 56573359) is N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide.
What is the SMILES notation for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide?
The canonical SMILES for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide is O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2OC(F)F)cs1.
What is the InChIKey of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide?
The InChIKey is XEXUPAYFBCHHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O4S/c19-17(20)28-15-8-4-1-5-11(15)13-10-29-18(22-13)23-16(25)9-21-12-6-2-3-7-14(12)24(26)27/h1-8,10,17,21H,9H2,(H,22,23,25).
What are the key properties of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide?
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide has a molecular weight of 420.40 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide is sourced from PubChem (CID 56573359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).