(4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C17H17FN2S — CID 11566234

IUPAC(4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc([C@H]2C[C@@H](c3ccccc3F)N=C(N)S2)cc1
InChIInChI=1S/C17H17FN2S/c1-11-6-8-12(9-7-11)16-10-15(20-17(19)21-16)13-4-2-3-5-14(13)18/h2-9,15-16H,10H2,1H3,(H2,19,20)/t15-,16+/m0/s1
InChIKeyKTBGLCVUWJNPKP-JKSUJKDBSA-N
MW300.40 g/mol
LogP4.37
Rot. Bonds2

About (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

(4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 11566234) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID11566234
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name(4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc([C@H]2C[C@@H](c3ccccc3F)N=C(N)S2)cc1
InChIInChI=1S/C17H17FN2S/c1-11-6-8-12(9-7-11)16-10-15(20-17(19)21-16)13-4-2-3-5-14(13)18/h2-9,15-16H,10H2,1H3,(H2,19,20)/t15-,16+/m0/s1
InChIKeyKTBGLCVUWJNPKP-JKSUJKDBSA-N
XLogP4.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102385604
(4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102385596
4-(2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 144673057
(4S,6S)-6-phenyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 90253357
(4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-3-ium-2-amine chloride
CID 139039398
8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene
CID 3789165
(4R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 70300206
(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
CID 146018955
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
7-(2-fluorophenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5012186
2-(4-methylphenyl)thiirane
CID 12013872
N,N-dimethylformamide;4-(5-ethynyl-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 142379221

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 11566234) is (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc([C@H]2C[C@@H](c3ccccc3F)N=C(N)S2)cc1.
What is the InChIKey of (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is KTBGLCVUWJNPKP-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-11-6-8-12(9-7-11)16-10-15(20-17(19)21-16)13-4-2-3-5-14(13)18/h2-9,15-16H,10H2,1H3,(H2,19,20)/t15-,16+/m0/s1.
What are the key properties of (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
(4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 300.40 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 11566234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).