(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine

C16H15FN4S — CID 89097533

IUPAC(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(N)ccc2F)C=C(c2ccccn2)SC(N)=N1
InChIInChI=1S/C16H15FN4S/c1-16(11-8-10(18)5-6-12(11)17)9-14(22-15(19)21-16)13-4-2-3-7-20-13/h2-9H,18H2,1H3,(H2,19,21)/t16-/m0/s1
InChIKeyZUHILXKEMPNVCF-INIZCTEOSA-N
MW314.39 g/mol
LogP3.12
Rot. Bonds2

About (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine

(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine (PubChem CID 89097533) has the molecular formula C16H15FN4S and a molecular weight of 314.39 g/mol. Its IUPAC name is (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine
PubChem CID89097533
Molecular FormulaC16H15FN4S
Molecular Weight314.39 g/mol
Exact Mass314.10
IUPAC Name(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(N)ccc2F)C=C(c2ccccn2)SC(N)=N1
InChIInChI=1S/C16H15FN4S/c1-16(11-8-10(18)5-6-12(11)17)9-14(22-15(19)21-16)13-4-2-3-7-20-13/h2-9H,18H2,1H3,(H2,19,21)/t16-/m0/s1
InChIKeyZUHILXKEMPNVCF-INIZCTEOSA-N
XLogP3.12
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(Pyridin-3-yl)aniline
CID 459521
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905520
2-Fluoro-5-(5-propylpyridin-2-yl)aniline
CID 837868
2-[3-(4-Fluorophenyl)-3-pyridin-2-ylpropyl]guanidine
CID 14660391
2-(4-Fluorophenyl)-5-methyl-2-(3-pyridin-3-ylphenyl)imidazol-4-amine
CID 49858377
3-(2-Pyridyl)aniline
CID 459517
4,4,8-trimethyl-N-(2-pyridin-3-ylethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137303194
2-[(4-Fluorophenyl)methyl]pyridine-4-carbothioamide
CID 145980159
2-[(3-Fluorophenyl)methyl]pyridine-4-carbothioamide
CID 145989830
(2S,5R)-6-amino-2-[2-fluoro-5-(5-fluoro-2-pyridinyl)phenyl]-2-(fluoromethyl)-N,N,5-trimethyl-3,4-dihydropyridine-5-sulfonamide
CID 168275111
N'-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboximidamide
CID 89095041
US10246429, Example 245
CID 126555283

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine (CID 89097533) is (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine is C[C@@]1(c2cc(N)ccc2F)C=C(c2ccccn2)SC(N)=N1.
What is the InChIKey of (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine?
The InChIKey is ZUHILXKEMPNVCF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15FN4S/c1-16(11-8-10(18)5-6-12(11)17)9-14(22-15(19)21-16)13-4-2-3-7-20-13/h2-9H,18H2,1H3,(H2,19,21)/t16-/m0/s1.
What are the key properties of (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine?
(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-amino-2-fluorophenyl)-4-methyl-6-pyridin-2-yl-1,3-thiazin-2-amine is sourced from PubChem (CID 89097533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).