N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C8H14F2N2S — CID 130729580

IUPACN-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(F)(F)CCNC1=NCCCS1
InChIInChI=1S/C8H14F2N2S/c1-8(9,10)3-5-12-7-11-4-2-6-13-7/h2-6H2,1H3,(H,11,12)
InChIKeyNOFUDUDRVQWUQF-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.11
Rot. Bonds3

About N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 130729580) has the molecular formula C8H14F2N2S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID130729580
Molecular FormulaC8H14F2N2S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC NameN-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(F)(F)CCNC1=NCCCS1
InChIInChI=1S/C8H14F2N2S/c1-8(9,10)3-5-12-7-11-4-2-6-13-7/h2-6H2,1H3,(H,11,12)
InChIKeyNOFUDUDRVQWUQF-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 130729580) is N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(F)(F)CCNC1=NCCCS1.
What is the InChIKey of N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NOFUDUDRVQWUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2S/c1-8(9,10)3-5-12-7-11-4-2-6-13-7/h2-6H2,1H3,(H,11,12).
What are the key properties of N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 208.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 130729580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).