2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine

C16H15N5O2S2 — CID 134480186

IUPAC2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2ncc(-c3cccc(-c4ncco4)c3)s2)CS1=O
InChIInChI=1S/C16H15N5O2S2/c1-21-16(17)20-12(9-25(21)22)15-19-8-13(24-15)10-3-2-4-11(7-10)14-18-5-6-23-14/h2-8,12H,9H2,1H3,(H2,17,20)
InChIKeyRPCXCXXKIUPVOK-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.43
Rot. Bonds3

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

2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (PubChem CID 134480186) has the molecular formula C16H15N5O2S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
PubChem CID134480186
Molecular FormulaC16H15N5O2S2
Molecular Weight373.46 g/mol
Exact Mass373.07
IUPAC Name2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2ncc(-c3cccc(-c4ncco4)c3)s2)CS1=O
InChIInChI=1S/C16H15N5O2S2/c1-21-16(17)20-12(9-25(21)22)15-19-8-13(24-15)10-3-2-4-11(7-10)14-18-5-6-23-14/h2-8,12H,9H2,1H3,(H2,17,20)
InChIKeyRPCXCXXKIUPVOK-UHFFFAOYSA-N
XLogP2.43
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The IUPAC name of 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (CID 134480186) is 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is CN1C(N)=NC(c2ncc(-c3cccc(-c4ncco4)c3)s2)CS1=O.
What is the InChIKey of 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The InChIKey is RPCXCXXKIUPVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S2/c1-21-16(17)20-12(9-25(21)22)15-19-8-13(24-15)10-3-2-4-11(7-10)14-18-5-6-23-14/h2-8,12H,9H2,1H3,(H2,17,20).
What are the key properties of 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine has a molecular weight of 373.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 134480186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).