2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide

C14H18FN3S — CID 58057482

IUPAC2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide
SMILES[H]/N=C(\N)CC1=NC(C)(c2ccc(C)c(F)c2)CCS1
InChIInChI=1S/C14H18FN3S/c1-9-3-4-10(7-11(9)15)14(2)5-6-19-13(18-14)8-12(16)17/h3-4,7H,5-6,8H2,1-2H3,(H3,16,17)
InChIKeyVHJGTMNPLRWXFU-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.21
Rot. Bonds3

About 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide

2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide (PubChem CID 58057482) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide
PubChem CID58057482
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide
SMILES[H]/N=C(\N)CC1=NC(C)(c2ccc(C)c(F)c2)CCS1
InChIInChI=1S/C14H18FN3S/c1-9-3-4-10(7-11(9)15)14(2)5-6-19-13(18-14)8-12(16)17/h3-4,7H,5-6,8H2,1-2H3,(H3,16,17)
InChIKeyVHJGTMNPLRWXFU-UHFFFAOYSA-N
XLogP3.21
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4s)-4-(2,4-Difluorophenyl)-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 90657111
(4S)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59374749
US9499502, Table A: Entry 11
CID 89095185
(2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine
CID 159467217
(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine
CID 146168531
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-(4-Fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 57627983
(4aR,9aS)-9a-(2-fluorophenyl)-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-2-amine
CID 57827348
4-(3-Fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 58057553
9a-(2-fluorophenyl)-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-2-amine
CID 68445897
(9aS)-9a-(2-fluorophenyl)-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-2-amine
CID 70259386

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide?
The IUPAC name of 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide (CID 58057482) is 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide?
The canonical SMILES for 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide is [H]/N=C(\N)CC1=NC(C)(c2ccc(C)c(F)c2)CCS1.
What is the InChIKey of 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide?
The InChIKey is VHJGTMNPLRWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-9-3-4-10(7-11(9)15)14(2)5-6-19-13(18-14)8-12(16)17/h3-4,7H,5-6,8H2,1-2H3,(H3,16,17).
What are the key properties of 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide?
2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide has a molecular weight of 279.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]ethanimidamide is sourced from PubChem (CID 58057482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).