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

C16H14FN5O2S2 — CID 134480694

IUPAC5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2sc(-c3ccnc(-c4cnco4)c3)cc2F)CS1=O
InChIInChI=1S/C16H14FN5O2S2/c1-22-16(18)21-12(7-26(22)23)15-10(17)5-14(25-15)9-2-3-20-11(4-9)13-6-19-8-24-13/h2-6,8,12H,7H2,1H3,(H2,18,21)
InChIKeyDPRMPOSRYRAKKV-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.57
Rot. Bonds3

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

5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (PubChem CID 134480694) has the molecular formula C16H14FN5O2S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
PubChem CID134480694
Molecular FormulaC16H14FN5O2S2
Molecular Weight391.45 g/mol
Exact Mass391.06
IUPAC Name5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2sc(-c3ccnc(-c4cnco4)c3)cc2F)CS1=O
InChIInChI=1S/C16H14FN5O2S2/c1-22-16(18)21-12(7-26(22)23)15-10(17)5-14(25-15)9-2-3-20-11(4-9)13-6-19-8-24-13/h2-6,8,12H,7H2,1H3,(H2,18,21)
InChIKeyDPRMPOSRYRAKKV-UHFFFAOYSA-N
XLogP2.57
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (CID 134480694) is 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is CN1C(N)=NC(c2sc(-c3ccnc(-c4cnco4)c3)cc2F)CS1=O.
What is the InChIKey of 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The InChIKey is DPRMPOSRYRAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S2/c1-22-16(18)21-12(7-26(22)23)15-10(17)5-14(25-15)9-2-3-20-11(4-9)13-6-19-8-24-13/h2-6,8,12H,7H2,1H3,(H2,18,21).
What are the key properties of 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine has a molecular weight of 391.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 134480694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).