5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine

C20H15ClFN5O3S2 — CID 134480117

IUPAC5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2sc3c(-c4ccc(-c5cnco5)cc4F)nccc3c2Cl)CS1(=O)=O
InChIInChI=1S/C20H15ClFN5O3S2/c1-27-20(23)26-14(8-32(27,28)29)19-16(21)12-4-5-25-17(18(12)31-19)11-3-2-10(6-13(11)22)15-7-24-9-30-15/h2-7,9,14H,8H2,1H3,(H2,23,26)
InChIKeyYVINWAOPVDWPBC-UHFFFAOYSA-N
MW491.96 g/mol
LogP4.04
Rot. Bonds3

About 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine

5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (PubChem CID 134480117) has the molecular formula C20H15ClFN5O3S2 and a molecular weight of 491.96 g/mol. Its IUPAC name is 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
PubChem CID134480117
Molecular FormulaC20H15ClFN5O3S2
Molecular Weight491.96 g/mol
Exact Mass491.03
IUPAC Name5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2sc3c(-c4ccc(-c5cnco5)cc4F)nccc3c2Cl)CS1(=O)=O
InChIInChI=1S/C20H15ClFN5O3S2/c1-27-20(23)26-14(8-32(27,28)29)19-16(21)12-4-5-25-17(18(12)31-19)11-3-2-10(6-13(11)22)15-7-24-9-30-15/h2-7,9,14H,8H2,1H3,(H2,23,26)
InChIKeyYVINWAOPVDWPBC-UHFFFAOYSA-N
XLogP4.04
TPSA114.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-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-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (CID 134480117) is 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is CN1C(N)=NC(c2sc3c(-c4ccc(-c5cnco5)cc4F)nccc3c2Cl)CS1(=O)=O.
What is the InChIKey of 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The InChIKey is YVINWAOPVDWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O3S2/c1-27-20(23)26-14(8-32(27,28)29)19-16(21)12-4-5-25-17(18(12)31-19)11-3-2-10(6-13(11)22)15-7-24-9-30-15/h2-7,9,14H,8H2,1H3,(H2,23,26).
What are the key properties of 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine has a molecular weight of 491.96 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-7-[2-fluoro-4-(1,3-oxazol-5-yl)phenyl]thieno[2,3-c]pyridin-2-yl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 134480117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).