3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine

C11H12FN3O3S — CID 126633705

IUPAC3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2cc([N+](=O)[O-])ccc2F)CS1=O
InChIInChI=1S/C11H12FN3O3S/c1-6-11(13)14-10(5-19(6)18)8-4-7(15(16)17)2-3-9(8)12/h2-4,6,10H,5H2,1H3,(H2,13,14)
InChIKeyCVOCTCNZEZXBRX-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.28
Rot. Bonds2

About 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine

3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 126633705) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID126633705
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2cc([N+](=O)[O-])ccc2F)CS1=O
InChIInChI=1S/C11H12FN3O3S/c1-6-11(13)14-10(5-19(6)18)8-4-7(15(16)17)2-3-9(8)12/h2-4,6,10H,5H2,1H3,(H2,13,14)
InChIKeyCVOCTCNZEZXBRX-UHFFFAOYSA-N
XLogP1.28
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.28
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

(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride
CID 171196811
3-(5-amino-2-fluorophenyl)-1-oxo-6-[4-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 126633995
3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane
CID 144606503
(2S)-2-(2-fluoro-5-nitrophenyl)piperazine
CID 171193757
2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile
CID 175483475
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-propan-2-ylidene-5H-1,3-thiazin-2-amine
CID 58376988
6,6-difluoro-4-(2-fluoro-5-nitrophenyl)-4-methyl-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-2-amine
CID 123590586
2-cyclopentyl-4-nitroaniline
CID 68656772
(5R)-5-(2-fluoro-5-nitrophenyl)-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 118073003
5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 66665494
1-fluoro-4-nitro-2-(trichloromethyl)benzene
CID 23325896

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 126633705) is 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine is CC1C(N)=NC(c2cc([N+](=O)[O-])ccc2F)CS1=O.
What is the InChIKey of 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is CVOCTCNZEZXBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-6-11(13)14-10(5-19(6)18)8-4-7(15(16)17)2-3-9(8)12/h2-4,6,10H,5H2,1H3,(H2,13,14).
What are the key properties of 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 285.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-nitrophenyl)-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 126633705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).