(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine

C16H19N3OS — CID 155561129

IUPAC(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCc1noc(C)c1[C@@H]1C[C@@](C)(c2ccccc2)N=C(N)S1
InChIInChI=1S/C16H19N3OS/c1-10-14(11(2)20-19-10)13-9-16(3,18-15(17)21-13)12-7-5-4-6-8-12/h4-8,13H,9H2,1-3H3,(H2,17,18)/t13-,16-/m0/s1
InChIKeyPWMAAOXLSVJXLA-BBRMVZONSA-N
MW301.42 g/mol
LogP3.70
Rot. Bonds2

About (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine

(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 155561129) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID155561129
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCc1noc(C)c1[C@@H]1C[C@@](C)(c2ccccc2)N=C(N)S1
InChIInChI=1S/C16H19N3OS/c1-10-14(11(2)20-19-10)13-9-16(3,18-15(17)21-13)12-7-5-4-6-8-12/h4-8,13H,9H2,1-3H3,(H2,17,18)/t13-,16-/m0/s1
InChIKeyPWMAAOXLSVJXLA-BBRMVZONSA-N
XLogP3.70
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine (CID 155561129) is (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine is Cc1noc(C)c1[C@@H]1C[C@@](C)(c2ccccc2)N=C(N)S1.
What is the InChIKey of (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is PWMAAOXLSVJXLA-BBRMVZONSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-14(11(2)20-19-10)13-9-16(3,18-15(17)21-13)12-7-5-4-6-8-12/h4-8,13H,9H2,1-3H3,(H2,17,18)/t13-,16-/m0/s1.
What are the key properties of (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine?
(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 301.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 155561129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).