(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C19H17F2N5OS — CID 90253316

IUPAC(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1noc(C)c1[C@@H]1C[C@@H](c2cc(-c3cncnc3)c(F)cc2F)N=C(N)S1
InChIInChI=1S/C19H17F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17H,5H2,1-2H3,(H2,22,25)/t16-,17-/m0/s1
InChIKeyZNDAYQFTAYAHER-IRXDYDNUSA-N
MW401.44 g/mol
LogP4.26
Rot. Bonds3

About (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 90253316) has the molecular formula C19H17F2N5OS and a molecular weight of 401.44 g/mol. Its IUPAC name is (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID90253316
Molecular FormulaC19H17F2N5OS
Molecular Weight401.44 g/mol
Exact Mass401.11
IUPAC Name(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1noc(C)c1[C@@H]1C[C@@H](c2cc(-c3cncnc3)c(F)cc2F)N=C(N)S1
InChIInChI=1S/C19H17F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17H,5H2,1-2H3,(H2,22,25)/t16-,17-/m0/s1
InChIKeyZNDAYQFTAYAHER-IRXDYDNUSA-N
XLogP4.26
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 90253316) is (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1noc(C)c1[C@@H]1C[C@@H](c2cc(-c3cncnc3)c(F)cc2F)N=C(N)S1.
What is the InChIKey of (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ZNDAYQFTAYAHER-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H17F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17H,5H2,1-2H3,(H2,22,25)/t16-,17-/m0/s1.
What are the key properties of (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 401.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 90253316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).