(4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C11H14FN3S — CID 59374723

IUPAC(4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@]1(c2cc(N)ccc2F)CCSC(N)=N1
InChIInChI=1S/C11H14FN3S/c1-11(4-5-16-10(14)15-11)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15)/t11-/m1/s1
InChIKeyUTVFCSULJLFSIQ-LLVKDONJSA-N
MW239.32 g/mol
LogP2.07
Rot. Bonds1

About (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

(4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 59374723) has the molecular formula C11H14FN3S and a molecular weight of 239.32 g/mol. Its IUPAC name is (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID59374723
Molecular FormulaC11H14FN3S
Molecular Weight239.32 g/mol
Exact Mass239.09
IUPAC Name(4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@]1(c2cc(N)ccc2F)CCSC(N)=N1
InChIInChI=1S/C11H14FN3S/c1-11(4-5-16-10(14)15-11)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15)/t11-/m1/s1
InChIKeyUTVFCSULJLFSIQ-LLVKDONJSA-N
XLogP2.07
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
CID 3311
S-Ethyl N-[4-Triflurormethyl)phenyl]isothio Urea, Hydrochloride
CID 2733516
2-Ethyl-1-(4-isopropyl-phenyl)-isothiourea; hydrochloride
CID 10656678
2-Ethyl-1-p-tolyl-isothiourea; hydrochloride
CID 10797903
2-fluorobenzyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
CID 1947246
benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
CID 3727516
3-fluorobenzyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
CID 4563615
N-(3-Carbamimidoylsulfanylmethyl-phenyl)-acetamidine
CID 11798374
ethyl N'-(4-propan-2-ylphenyl)carbamimidothioate;hydrochloride
CID 45260371
ethyl N'-(4-methylphenyl)carbamimidothioate;hydrochloride
CID 45260491
2-Ethyl-1-(2-isopropyl-phenyl)-isothiourea; hydrochloride
CID 10537022
Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, ethyl ester
CID 10538489

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 59374723) is (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is C[C@]1(c2cc(N)ccc2F)CCSC(N)=N1.
What is the InChIKey of (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is UTVFCSULJLFSIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14FN3S/c1-11(4-5-16-10(14)15-11)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5,13H2,1H3,(H2,14,15)/t11-/m1/s1.
What are the key properties of (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
(4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 59374723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).