N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C14H18F2N2OS — CID 106165206

IUPACN-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccccc2OC(F)F)=N1
InChIInChI=1S/C14H18F2N2OS/c1-3-14(2)8-9-20-13(18-14)17-10-6-4-5-7-11(10)19-12(15)16/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyXOGDNGSHUCVVEG-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.36
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106165206) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106165206
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccccc2OC(F)F)=N1
InChIInChI=1S/C14H18F2N2OS/c1-3-14(2)8-9-20-13(18-14)17-10-6-4-5-7-11(10)19-12(15)16/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyXOGDNGSHUCVVEG-UHFFFAOYSA-N
XLogP4.36
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106165206) is N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2ccccc2OC(F)F)=N1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is XOGDNGSHUCVVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c1-3-14(2)8-9-20-13(18-14)17-10-6-4-5-7-11(10)19-12(15)16/h4-7,12H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106165206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).