2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione

C11H11N3S2 — CID 13356050

IUPAC2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione
SMILESCNc1nc(=S)nc(-c2cccc(C)c2)s1
InChIInChI=1S/C11H11N3S2/c1-7-4-3-5-8(6-7)9-13-10(15)14-11(12-2)16-9/h3-6H,1-2H3,(H,12,14,15)
InChIKeyCDTMVPIUDYHOCS-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.28
Rot. Bonds2

About 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione

2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione (PubChem CID 13356050) has the molecular formula C11H11N3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione.

Molecular Properties

Compound Name2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione
PubChem CID13356050
Molecular FormulaC11H11N3S2
Molecular Weight249.36 g/mol
Exact Mass249.04
IUPAC Name2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione
SMILESCNc1nc(=S)nc(-c2cccc(C)c2)s1
InChIInChI=1S/C11H11N3S2/c1-7-4-3-5-8(6-7)9-13-10(15)14-11(12-2)16-9/h3-6H,1-2H3,(H,12,14,15)
InChIKeyCDTMVPIUDYHOCS-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887834
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82425850
2-(3-methylphenyl)-1,3-thiazole-4,5-diol
CID 174799020
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091195
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81178171
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45263058
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
2-(3-methylphenyl)-1,3-benzothiazol-7-amine
CID 82231870
5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428626

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione?
The IUPAC name of 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione (CID 13356050) is 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione.
What is the SMILES notation for 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione?
The canonical SMILES for 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione is CNc1nc(=S)nc(-c2cccc(C)c2)s1.
What is the InChIKey of 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione?
The InChIKey is CDTMVPIUDYHOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S2/c1-7-4-3-5-8(6-7)9-13-10(15)14-11(12-2)16-9/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione?
2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione has a molecular weight of 249.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione is sourced from PubChem (CID 13356050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).