3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

C17H15FN4O3S2 — CID 126633686

IUPAC3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2sc(-c3cccc(-c4nnco4)c3)cc2F)CS1(=O)=O
InChIInChI=1S/C17H15FN4O3S2/c1-9-16(19)21-13(7-27(9,23)24)15-12(18)6-14(26-15)10-3-2-4-11(5-10)17-22-20-8-25-17/h2-6,8-9,13H,7H2,1H3,(H2,19,21)
InChIKeyNDJCLSCBQLHDJM-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.82
Rot. Bonds3

About 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 126633686) has the molecular formula C17H15FN4O3S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID126633686
Molecular FormulaC17H15FN4O3S2
Molecular Weight406.46 g/mol
Exact Mass406.06
IUPAC Name3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2sc(-c3cccc(-c4nnco4)c3)cc2F)CS1(=O)=O
InChIInChI=1S/C17H15FN4O3S2/c1-9-16(19)21-13(7-27(9,23)24)15-12(18)6-14(26-15)10-3-2-4-11(5-10)17-22-20-8-25-17/h2-6,8-9,13H,7H2,1H3,(H2,19,21)
InChIKeyNDJCLSCBQLHDJM-UHFFFAOYSA-N
XLogP2.82
TPSA111.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine with MolForge

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Related Compounds

(3S)-3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 159172359
2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole
CID 90289831
8-[3-chloro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine
CID 78101343
6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 126633964
N-[3-(5-amino-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl)-4-fluorophenyl]formamide
CID 126633533
2-methyl-5-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 134480287
(3S)-3,6,6-trimethyl-3-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095154
5-[5-[3-[(E)-2-amino-2-methoxyethenyl]phenyl]-3-fluorothiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 134480256
(3S)-3-[3-fluoro-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]thiophen-2-yl]-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 162225843
5-[3-fluoro-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123923270
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 126633686) is 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is CC1C(N)=NC(c2sc(-c3cccc(-c4nnco4)c3)cc2F)CS1(=O)=O.
What is the InChIKey of 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is NDJCLSCBQLHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S2/c1-9-16(19)21-13(7-27(9,23)24)15-12(18)6-14(26-15)10-3-2-4-11(5-10)17-22-20-8-25-17/h2-6,8-9,13H,7H2,1H3,(H2,19,21).
What are the key properties of 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 406.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 126633686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).