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

C17H18N2S — CID 102385596

IUPAC(4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc([C@H]2C[C@@H](c3ccccc3)N=C(N)S2)cc1
InChIInChI=1S/C17H18N2S/c1-12-7-9-14(10-8-12)16-11-15(19-17(18)20-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3,(H2,18,19)/t15-,16+/m0/s1
InChIKeyZZTDECDSUMFJSL-JKSUJKDBSA-N
MW282.41 g/mol
LogP4.23
Rot. Bonds2

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

(4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 102385596) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID102385596
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name(4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc([C@H]2C[C@@H](c3ccccc3)N=C(N)S2)cc1
InChIInChI=1S/C17H18N2S/c1-12-7-9-14(10-8-12)16-11-15(19-17(18)20-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3,(H2,18,19)/t15-,16+/m0/s1
InChIKeyZZTDECDSUMFJSL-JKSUJKDBSA-N
XLogP4.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,6R)-4-(2-fluorophenyl)-6-(4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 11566234
(4S,6R)-4-(2-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102385604
(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
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
6-(4-chlorophenyl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 123180881
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
2-(4-methylphenyl)-6-phenylthian-4-one
CID 3691467
4-ethyl-2-(4-methylphenyl)-N-phenyl-3,4-dihydro-2H-pyrrol-5-amine
CID 122202658
2-(4-methylphenyl)thiirane
CID 12013872
2-(4-methylphenyl)-3-phenyloxirane
CID 602487

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 102385596) is (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc([C@H]2C[C@@H](c3ccccc3)N=C(N)S2)cc1.
What is the InChIKey of (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ZZTDECDSUMFJSL-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-7-9-14(10-8-12)16-11-15(19-17(18)20-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3,(H2,18,19)/t15-,16+/m0/s1.
What are the key properties of (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
(4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 102385596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).