(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine

C15H16N4S — CID 68542320

IUPAC(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cccc(-c3cncnc3)c2)CCSC(N)=N1
InChIInChI=1S/C15H16N4S/c1-15(5-6-20-14(16)19-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19)/t15-/m0/s1
InChIKeySEZZKNGTXFYYGH-HNNXBMFYSA-N
MW284.39 g/mol
LogP2.81
Rot. Bonds2

About (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine

(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 68542320) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID68542320
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cccc(-c3cncnc3)c2)CCSC(N)=N1
InChIInChI=1S/C15H16N4S/c1-15(5-6-20-14(16)19-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19)/t15-/m0/s1
InChIKeySEZZKNGTXFYYGH-HNNXBMFYSA-N
XLogP2.81
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine (CID 68542320) is (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2cccc(-c3cncnc3)c2)CCSC(N)=N1.
What is the InChIKey of (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is SEZZKNGTXFYYGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-15(5-6-20-14(16)19-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19)/t15-/m0/s1.
What are the key properties of (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine?
(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 68542320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).