2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one

C11H11N3OS — CID 12733825

IUPAC2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one
SMILESCN(C)c1nnc(-c2ccccc2)c(=O)s1
InChIInChI=1S/C11H11N3OS/c1-14(2)11-13-12-9(10(15)16-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyNRTBXCKYCCODRP-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.63
Rot. Bonds2

About 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one

2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one (PubChem CID 12733825) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one
PubChem CID12733825
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one
SMILESCN(C)c1nnc(-c2ccccc2)c(=O)s1
InChIInChI=1S/C11H11N3OS/c1-14(2)11-13-12-9(10(15)16-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyNRTBXCKYCCODRP-UHFFFAOYSA-N
XLogP1.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one?
The IUPAC name of 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one (CID 12733825) is 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one?
The canonical SMILES for 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one is CN(C)c1nnc(-c2ccccc2)c(=O)s1.
What is the InChIKey of 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one?
The InChIKey is NRTBXCKYCCODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14(2)11-13-12-9(10(15)16-11)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one?
2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one has a molecular weight of 233.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one is sourced from PubChem (CID 12733825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).