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

C19H19N5OS — CID 118517237

IUPAC(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1noc(C)c1[C@@H]1C[C@@H](c2cccc(-c3cncnc3)c2)N=C(N)S1
InChIInChI=1S/C19H19N5OS/c1-11-18(12(2)25-24-11)17-7-16(23-19(20)26-17)14-5-3-4-13(6-14)15-8-21-10-22-9-15/h3-6,8-10,16-17H,7H2,1-2H3,(H2,20,23)/t16-,17-/m0/s1
InChIKeyOTJAZSWMNQGVHJ-IRXDYDNUSA-N
MW365.46 g/mol
LogP3.98
Rot. Bonds3

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

(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 118517237) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID118517237
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1noc(C)c1[C@@H]1C[C@@H](c2cccc(-c3cncnc3)c2)N=C(N)S1
InChIInChI=1S/C19H19N5OS/c1-11-18(12(2)25-24-11)17-7-16(23-19(20)26-17)14-5-3-4-13(6-14)15-8-21-10-22-9-15/h3-6,8-10,16-17H,7H2,1-2H3,(H2,20,23)/t16-,17-/m0/s1
InChIKeyOTJAZSWMNQGVHJ-IRXDYDNUSA-N
XLogP3.98
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 118517237) is (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1noc(C)c1[C@@H]1C[C@@H](c2cccc(-c3cncnc3)c2)N=C(N)S1.
What is the InChIKey of (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OTJAZSWMNQGVHJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-11-18(12(2)25-24-11)17-7-16(23-19(20)26-17)14-5-3-4-13(6-14)15-8-21-10-22-9-15/h3-6,8-10,16-17H,7H2,1-2H3,(H2,20,23)/t16-,17-/m0/s1.
What are the key properties of (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 365.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 118517237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).