N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H19FN2S — CID 65034839

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC(C)Cc2ccc(F)cc2)SC1
InChIInChI=1S/C14H19FN2S/c1-10-8-16-14(18-9-10)17-11(2)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKeyKBZUMBGEDJPPMC-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.09
Rot. Bonds3

About N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65034839) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65034839
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NC(C)Cc2ccc(F)cc2)SC1
InChIInChI=1S/C14H19FN2S/c1-10-8-16-14(18-9-10)17-11(2)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKeyKBZUMBGEDJPPMC-UHFFFAOYSA-N
XLogP3.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65034839) is N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NC(C)Cc2ccc(F)cc2)SC1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is KBZUMBGEDJPPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-10-8-16-14(18-9-10)17-11(2)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 266.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65034839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).