(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine

C17H14FN3O2S — CID 58377013

IUPAC(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc([N+](=O)[O-])ccc2F)C=C(c2ccccc2)SC(N)=N1
InChIInChI=1S/C17H14FN3O2S/c1-17(13-9-12(21(22)23)7-8-14(13)18)10-15(24-16(19)20-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20)/t17-/m0/s1
InChIKeyGLAZOAISXLGEJX-KRWDZBQOSA-N
MW343.38 g/mol
LogP4.05
Rot. Bonds3

About (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine

(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine (PubChem CID 58377013) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
PubChem CID58377013
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc([N+](=O)[O-])ccc2F)C=C(c2ccccc2)SC(N)=N1
InChIInChI=1S/C17H14FN3O2S/c1-17(13-9-12(21(22)23)7-8-14(13)18)10-15(24-16(19)20-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20)/t17-/m0/s1
InChIKeyGLAZOAISXLGEJX-KRWDZBQOSA-N
XLogP4.05
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.05
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

6-benzylsulfanyl-4-[(3-nitrophenyl)methylsulfanyl]-1H-1,3,5-triazin-2-one
CID 54769181
(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazin-2-amine
CID 68251752
(4-nitrophenyl)methyl N'-phenylcarbamimidothioate;hydrobromide
CID 2803023
(5R)-5-(2-fluoro-5-nitrophenyl)-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-3-amine
CID 146168530
(4S)-4-(5-amino-2-fluorophenyl)-6-ethyl-4-methyl-1,3-thiazin-2-amine
CID 53244759
4-(5-Amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 57627404
[(4aR*,7aS*)-7a-(2-fluoro-5-nitrophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl]amine
CID 57827660
(S)-4-ethyl-4-(2-fluoro-5-nitrophenyl)-5,6-dihydro-4H-[1,3]thiazin-2-ylamine
CID 58189456
(4S)-4-ethyl-4-(2-fluoro-5-nitrophenyl)-2-methyl-5,6-dihydro-1,3-thiazine
CID 58189462
(4R)-4-(2-fluoro-5-nitrophenyl)-4,5-dimethyl-1,3-thiazin-2-amine
CID 58376887
(4S)-4-(2-fluoro-5-nitrophenyl)-4,6-dimethyl-1,3-thiazin-2-amine
CID 58376895
(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-propan-2-ylidene-5H-1,3-thiazin-2-amine
CID 58376988

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine (CID 58377013) is (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine is C[C@@]1(c2cc([N+](=O)[O-])ccc2F)C=C(c2ccccc2)SC(N)=N1.
What is the InChIKey of (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The InChIKey is GLAZOAISXLGEJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-17(13-9-12(21(22)23)7-8-14(13)18)10-15(24-16(19)20-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20)/t17-/m0/s1.
What are the key properties of (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine has a molecular weight of 343.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine is sourced from PubChem (CID 58377013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).