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

C15H14N6O2S2 — CID 134480200

IUPAC2-methyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2ncc(-c3cccc(-c4nnco4)c3)s2)CS1=O
InChIInChI=1S/C15H14N6O2S2/c1-21-15(16)19-11(7-25(21)22)14-17-6-12(24-14)9-3-2-4-10(5-9)13-20-18-8-23-13/h2-6,8,11H,7H2,1H3,(H2,16,19)
InChIKeySQYQJSGXASOKMS-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.83
Rot. Bonds3

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

2-methyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (PubChem CID 134480200) has the molecular formula C15H14N6O2S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-methyl-5-[5-[3-(1,3,4-oxadiazol-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-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
PubChem CID134480200
Molecular FormulaC15H14N6O2S2
Molecular Weight374.45 g/mol
Exact Mass374.06
IUPAC Name2-methyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(c2ncc(-c3cccc(-c4nnco4)c3)s2)CS1=O
InChIInChI=1S/C15H14N6O2S2/c1-21-15(16)19-11(7-25(21)22)14-17-6-12(24-14)9-3-2-4-10(5-9)13-20-18-8-23-13/h2-6,8,11H,7H2,1H3,(H2,16,19)
InChIKeySQYQJSGXASOKMS-UHFFFAOYSA-N
XLogP1.83
TPSA110.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 663592
(5S)-2,5-dimethyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222681
(5R)-5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 73776740
5-[2-Fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 134422981
3-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-imino-1-oxo-3-[3-(1,3-thiazol-5-yl)phenyl]-1,4-thiazinane-4-carboxamide
CID 177255543
(5S)-5-[5-[3-fluoro-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222682
(5R)-5-[2-fluoro-5-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 161116023
2,5-dimethyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123779948
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
3-[3-fluoro-5-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-6-methyl-1-oxo-3,6-dihydro-2H-1,4-thiazin-5-amine;pyridine
CID 144457380
(5S)-2,5-dimethyl-1-methylidene-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 147946556
5-[[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[3-(1,3,4-oxadiazol-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-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine (CID 134480200) is 2-methyl-5-[5-[3-(1,3,4-oxadiazol-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-(1,3,4-oxadiazol-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-(1,3,4-oxadiazol-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(-c4nnco4)c3)s2)CS1=O.
What is the InChIKey of 2-methyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
The InChIKey is SQYQJSGXASOKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S2/c1-21-15(16)19-11(7-25(21)22)14-17-6-12(24-14)9-3-2-4-10(5-9)13-20-18-8-23-13/h2-6,8,11H,7H2,1H3,(H2,16,19).
What are the key properties of 2-methyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine?
2-methyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine has a molecular weight of 374.45 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazol-2-yl]-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 134480200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).