3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine

C17H17F4N3O2S2 — CID 126634106

IUPAC3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine
SMILESCOc1cncc(-c2cc(F)c(C3CS(=O)C(C)(CC(F)(F)F)C(N)=N3)s2)c1
InChIInChI=1S/C17H17F4N3O2S2/c1-16(8-17(19,20)21)15(22)24-12(7-28(16)25)14-11(18)4-13(27-14)9-3-10(26-2)6-23-5-9/h3-6,12H,7-8H2,1-2H3,(H2,22,24)
InChIKeyIDUCXQLPIHIJFN-UHFFFAOYSA-N
MW435.47 g/mol
LogP3.83
Rot. Bonds4

About 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine

3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine (PubChem CID 126634106) has the molecular formula C17H17F4N3O2S2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine
PubChem CID126634106
Molecular FormulaC17H17F4N3O2S2
Molecular Weight435.47 g/mol
Exact Mass435.07
IUPAC Name3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine
SMILESCOc1cncc(-c2cc(F)c(C3CS(=O)C(C)(CC(F)(F)F)C(N)=N3)s2)c1
InChIInChI=1S/C17H17F4N3O2S2/c1-16(8-17(19,20)21)15(22)24-12(7-28(16)25)14-11(18)4-13(27-14)9-3-10(26-2)6-23-5-9/h3-6,12H,7-8H2,1-2H3,(H2,22,24)
InChIKeyIDUCXQLPIHIJFN-UHFFFAOYSA-N
XLogP3.83
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine?
The IUPAC name of 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine (CID 126634106) is 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine.
What is the SMILES notation for 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine?
The canonical SMILES for 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine is COc1cncc(-c2cc(F)c(C3CS(=O)C(C)(CC(F)(F)F)C(N)=N3)s2)c1.
What is the InChIKey of 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine?
The InChIKey is IDUCXQLPIHIJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O2S2/c1-16(8-17(19,20)21)15(22)24-12(7-28(16)25)14-11(18)4-13(27-14)9-3-10(26-2)6-23-5-9/h3-6,12H,7-8H2,1-2H3,(H2,22,24).
What are the key properties of 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine?
3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine has a molecular weight of 435.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(5-methoxy-3-pyridinyl)thiophen-2-yl]-6-methyl-1-oxo-6-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-thiazin-5-amine is sourced from PubChem (CID 126634106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).