N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide

C10H6FN3O3S — CID 62044834

IUPACN-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cscn1
InChIInChI=1S/C10H6FN3O3S/c11-7-2-1-6(14(16)17)3-8(7)13-10(15)9-4-18-5-12-9/h1-5H,(H,13,15)
InChIKeyYGCOEYFJHGSNJV-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.44
Rot. Bonds3

About N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide

N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62044834) has the molecular formula C10H6FN3O3S and a molecular weight of 267.24 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62044834
Molecular FormulaC10H6FN3O3S
Molecular Weight267.24 g/mol
Exact Mass267.01
IUPAC NameN-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cscn1
InChIInChI=1S/C10H6FN3O3S/c11-7-2-1-6(14(16)17)3-8(7)13-10(15)9-4-18-5-12-9/h1-5H,(H,13,15)
InChIKeyYGCOEYFJHGSNJV-UHFFFAOYSA-N
XLogP2.44
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide
CID 63047836
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369206
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(2,6-dimethyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 71857584
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 102848003
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
3-nitro-4-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 63021820
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide (CID 62044834) is N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cscn1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YGCOEYFJHGSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3S/c11-7-2-1-6(14(16)17)3-8(7)13-10(15)9-4-18-5-12-9/h1-5H,(H,13,15).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62044834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).