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

C10H8FN3O2S — CID 62760174

IUPAC4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCc1cncs1
InChIInChI=1S/C10H8FN3O2S/c11-7-1-2-9(10(3-7)14(15)16)13-5-8-4-12-6-17-8/h1-4,6,13H,5H2
InChIKeyTXAZDMSYBCSGJQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.80
Rot. Bonds4

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

4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62760174) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62760174
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCc1cncs1
InChIInChI=1S/C10H8FN3O2S/c11-7-1-2-9(10(3-7)14(15)16)13-5-8-4-12-6-17-8/h1-4,6,13H,5H2
InChIKeyTXAZDMSYBCSGJQ-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
CID 104577455
N-[(5-ethylthiophen-2-yl)methyl]-4-fluoro-2-nitroaniline
CID 60966044
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 43685252
4-fluoro-N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-nitroaniline
CID 112755297
N-[(3-ethylimidazol-4-yl)methyl]-4-fluoro-2-nitroaniline
CID 66134402
4-fluoro-N-[(3-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 34014238
5-isocyano-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 169290623
3-methyl-8-nitro-N-(1,3-thiazol-5-ylmethyl)isoquinolin-5-amine
CID 102714482
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
CID 43218082
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-fluoro-2-nitroaniline
CID 115595646
4-(ethylamino)-3-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579379
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 43218044

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62760174) is 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline is O=[N+]([O-])c1cc(F)ccc1NCc1cncs1.
What is the InChIKey of 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is TXAZDMSYBCSGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c11-7-1-2-9(10(3-7)14(15)16)13-5-8-4-12-6-17-8/h1-4,6,13H,5H2.
What are the key properties of 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline?
4-fluoro-2-nitro-N-(1,3-thiazol-5-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 4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62760174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).