2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

C11H10FN3O2S — CID 113486920

IUPAC2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCC(Nc1c(F)cccc1[N+](=O)[O-])c1cncs1
InChIInChI=1S/C11H10FN3O2S/c1-7(10-5-13-6-18-10)14-11-8(12)3-2-4-9(11)15(16)17/h2-7,14H,1H3
InChIKeyCZZYPURYZTXGSI-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.36
Rot. Bonds4

About 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 113486920) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
PubChem CID113486920
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCC(Nc1c(F)cccc1[N+](=O)[O-])c1cncs1
InChIInChI=1S/C11H10FN3O2S/c1-7(10-5-13-6-18-10)14-11-8(12)3-2-4-9(11)15(16)17/h2-7,14H,1H3
InChIKeyCZZYPURYZTXGSI-UHFFFAOYSA-N
XLogP3.36
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.36
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-[1-(2,6-difluorophenyl)ethyl]-2-fluoro-6-nitroaniline
CID 81306465
3-(2-fluoro-6-nitroanilino)-2-methylbutan-2-ol
CID 81310688
2-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-nitroaniline
CID 81306227
N-[1-(2,5-dichlorophenyl)ethyl]-2-fluoro-6-nitroaniline
CID 81306216
5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 99802719
2-[1-(2-fluoro-6-nitroanilino)ethyl]benzene-1,4-diamine;hydrochloride
CID 22662253
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
N-(1-cyclopentylethyl)-2-fluoro-6-nitroaniline
CID 81310002
N-methyl-3-nitro-4-[[(1S)-1-(1,3-thiazol-5-yl)ethyl]amino]benzamide
CID 99802720
N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline
CID 81309811
2-fluoro-N-(1-methoxybutan-2-yl)-6-nitroaniline
CID 81310423
2,3-difluoro-6-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 62533475

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (CID 113486920) is 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is CC(Nc1c(F)cccc1[N+](=O)[O-])c1cncs1.
What is the InChIKey of 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is CZZYPURYZTXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-7(10-5-13-6-18-10)14-11-8(12)3-2-4-9(11)15(16)17/h2-7,14H,1H3.
What are the key properties of 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 267.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-nitro-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 113486920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).