4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C12H15FN2S — CID 58057553

IUPAC4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCc1ccc(C2(C)CCSC(N)=N2)cc1F
InChIInChI=1S/C12H15FN2S/c1-8-3-4-9(7-10(8)13)12(2)5-6-16-11(14)15-12/h3-4,7H,5-6H2,1-2H3,(H2,14,15)
InChIKeyZXMBWEHDRAYXCH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.80
Rot. Bonds1

About 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 58057553) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID58057553
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCc1ccc(C2(C)CCSC(N)=N2)cc1F
InChIInChI=1S/C12H15FN2S/c1-8-3-4-9(7-10(8)13)12(2)5-6-16-11(14)15-12/h3-4,7H,5-6H2,1-2H3,(H2,14,15)
InChIKeyZXMBWEHDRAYXCH-UHFFFAOYSA-N
XLogP2.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[5-[(dimethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137662127
(4s)-4-(2,4-Difluorophenyl)-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 90657111
4-Phenyl-thiazolidin-(2E)-ylideneamine
CID 13196077
(4S)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59374749
(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine
CID 146168531
4-(4-methylphenyl)-6-phenyl-3H-1,3-thiazin-2-imine
CID 4626435
4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 12402628
methyl N-[bis(4-fluorophenyl)methyl]imidothiocarbamate
CID 6341940
4-(4-fluorophenyl)-4-methyl-6,7-dihydro-5H-1,3-thiazepin-2-amine
CID 57627157
4-Methyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 57627320
4-(5-Amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 57627404
N-[4-(4-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]acetamide
CID 57627611

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 58057553) is 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is Cc1ccc(C2(C)CCSC(N)=N2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ZXMBWEHDRAYXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-8-3-4-9(7-10(8)13)12(2)5-6-16-11(14)15-12/h3-4,7H,5-6H2,1-2H3,(H2,14,15).
What are the key properties of 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 58057553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).