5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline

C10H8FN3O2S — CID 55261426

IUPAC5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESO=[N+]([O-])c1ccc(F)cc1NCc1cscn1
InChIInChI=1S/C10H8FN3O2S/c11-7-1-2-10(14(15)16)9(3-7)12-4-8-5-17-6-13-8/h1-3,5-6,12H,4H2
InChIKeyNSEKVLQOCCYHIT-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.80
Rot. Bonds4

About 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline

5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 55261426) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID55261426
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESO=[N+]([O-])c1ccc(F)cc1NCc1cscn1
InChIInChI=1S/C10H8FN3O2S/c11-7-1-2-10(14(15)16)9(3-7)12-4-8-5-17-6-13-8/h1-3,5-6,12H,4H2
InChIKeyNSEKVLQOCCYHIT-UHFFFAOYSA-N
XLogP2.80
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.80
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

5-chloro-4-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 114089254
2,4-dinitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 49430909
4-iodo-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 49430808
3-bromo-4-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 82864131
5-nitro-2-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 55149859
5-chloro-2-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 113334569
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-nitroaniline
CID 62376249
4-fluoro-2-[(5-fluoro-2-nitroanilino)methyl]phenol
CID 107694527
N-[(4-bromophenyl)methyl]-5-fluoro-2-nitroaniline
CID 62376062
3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 82847839
4-fluoro-2-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 75426013
5-fluoro-2-nitro-N-propylaniline
CID 50987928

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 55261426) is 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline is O=[N+]([O-])c1ccc(F)cc1NCc1cscn1.
What is the InChIKey of 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is NSEKVLQOCCYHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c11-7-1-2-10(14(15)16)9(3-7)12-4-8-5-17-6-13-8/h1-3,5-6,12H,4H2.
What are the key properties of 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline?
5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 253.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 55261426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).