5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine

C13H15N3S2 — CID 15549662

IUPAC5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
SMILESc1ccc(C2=NN=C(N3CCSCC3)SC2)cc1
InChIInChI=1S/C13H15N3S2/c1-2-4-11(5-3-1)12-10-18-13(15-14-12)16-6-8-17-9-7-16/h1-5H,6-10H2
InChIKeyNTGRQKFFKYQQRC-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.54
Rot. Bonds1

About 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine

5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine (PubChem CID 15549662) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
PubChem CID15549662
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
SMILESc1ccc(C2=NN=C(N3CCSCC3)SC2)cc1
InChIInChI=1S/C13H15N3S2/c1-2-4-11(5-3-1)12-10-18-13(15-14-12)16-6-8-17-9-7-16/h1-5H,6-10H2
InChIKeyNTGRQKFFKYQQRC-UHFFFAOYSA-N
XLogP2.54
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine?
The IUPAC name of 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine (CID 15549662) is 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine?
The canonical SMILES for 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine is c1ccc(C2=NN=C(N3CCSCC3)SC2)cc1.
What is the InChIKey of 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine?
The InChIKey is NTGRQKFFKYQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-2-4-11(5-3-1)12-10-18-13(15-14-12)16-6-8-17-9-7-16/h1-5H,6-10H2.
What are the key properties of 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine?
5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine has a molecular weight of 277.42 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine is sourced from PubChem (CID 15549662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).