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

C15H17Cl2FN4S — CID 118305812

IUPAC(4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
SMILESC[C@@]1(c2cc(-c3cncnc3)ccc2F)CCSC(N)=N1.Cl.Cl
InChIInChI=1S/C15H15FN4S.2ClH/c1-15(4-5-21-14(17)20-15)12-6-10(2-3-13(12)16)11-7-18-9-19-8-11;;/h2-3,6-9H,4-5H2,1H3,(H2,17,20);2*1H/t15-;;/m0../s1
InChIKeySYDUJFUYIKVSHQ-CKUXDGONSA-N
MW375.30 g/mol
LogP3.79
Rot. Bonds2

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

(4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride (PubChem CID 118305812) has the molecular formula C15H17Cl2FN4S and a molecular weight of 375.30 g/mol. Its IUPAC name is (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride.

Molecular Properties

Compound Name(4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
PubChem CID118305812
Molecular FormulaC15H17Cl2FN4S
Molecular Weight375.30 g/mol
Exact Mass374.05
IUPAC Name(4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
SMILESC[C@@]1(c2cc(-c3cncnc3)ccc2F)CCSC(N)=N1.Cl.Cl
InChIInChI=1S/C15H15FN4S.2ClH/c1-15(4-5-21-14(17)20-15)12-6-10(2-3-13(12)16)11-7-18-9-19-8-11;;/h2-3,6-9H,4-5H2,1H3,(H2,17,20);2*1H/t15-;;/m0../s1
InChIKeySYDUJFUYIKVSHQ-CKUXDGONSA-N
XLogP3.79
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride?
The IUPAC name of (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride (CID 118305812) is (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride.
What is the SMILES notation for (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride?
The canonical SMILES for (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride is C[C@@]1(c2cc(-c3cncnc3)ccc2F)CCSC(N)=N1.Cl.Cl.
What is the InChIKey of (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride?
The InChIKey is SYDUJFUYIKVSHQ-CKUXDGONSA-N. The full InChI is InChI=1S/C15H15FN4S.2ClH/c1-15(4-5-21-14(17)20-15)12-6-10(2-3-13(12)16)11-7-18-9-19-8-11;;/h2-3,6-9H,4-5H2,1H3,(H2,17,20);2*1H/t15-;;/m0../s1.
What are the key properties of (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride?
(4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride is sourced from PubChem (CID 118305812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).