4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine

C14H14N2OS — CID 91593954

IUPAC4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine
SMILESCN1CNSc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C14H14N2OS/c1-16-10-15-18-14-9-12(7-8-13(14)16)17-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
InChIKeyXIMVPZSMBWLOSY-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.48
Rot. Bonds2

About 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine

4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine (PubChem CID 91593954) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine.

Molecular Properties

Compound Name4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine
PubChem CID91593954
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine
SMILESCN1CNSc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C14H14N2OS/c1-16-10-15-18-14-9-12(7-8-13(14)16)17-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
InChIKeyXIMVPZSMBWLOSY-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 70537630
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
(2R,3R)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one
CID 15687451
5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-4-one
CID 15687452
2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
CID 166626286
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
1-methyl-4-(4-phenoxyphenyl)imidazolidin-2-one
CID 116980839
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine?
The IUPAC name of 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine (CID 91593954) is 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine.
What is the SMILES notation for 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine?
The canonical SMILES for 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine is CN1CNSc2cc(Oc3ccccc3)ccc21.
What is the InChIKey of 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine?
The InChIKey is XIMVPZSMBWLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-16-10-15-18-14-9-12(7-8-13(14)16)17-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3.
What are the key properties of 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine?
4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine has a molecular weight of 258.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenoxy-2,3-dihydro-1,2,4-benzothiadiazine is sourced from PubChem (CID 91593954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).