3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol

C17H16N2O3S — CID 66678276

IUPAC3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol
SMILESC=CCN1c2cnccc2C(O)=C(c2ccccc2C)S1(=O)=O
InChIInChI=1S/C17H16N2O3S/c1-3-10-19-15-11-18-9-8-14(15)16(20)17(23(19,21)22)13-7-5-4-6-12(13)2/h3-9,11,20H,1,10H2,2H3
InChIKeyDTRIJBDFCXJQSG-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.11
Rot. Bonds3

About 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol

3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol (PubChem CID 66678276) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol.

Molecular Properties

Compound Name3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol
PubChem CID66678276
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol
SMILESC=CCN1c2cnccc2C(O)=C(c2ccccc2C)S1(=O)=O
InChIInChI=1S/C17H16N2O3S/c1-3-10-19-15-11-18-9-8-14(15)16(20)17(23(19,21)22)13-7-5-4-6-12(13)2/h3-9,11,20H,1,10H2,2H3
InChIKeyDTRIJBDFCXJQSG-UHFFFAOYSA-N
XLogP3.11
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylpyrido[4,3-c]thiazin-4-ol;yttrium
CID 161370265
N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814618
carbanide;ethane;3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynylfuro[2,3-c]thiazin-4-ol;yttrium
CID 158365906
3-methyl-4-(2-prop-2-enylphenyl)pyridine
CID 66828057
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
carbanide;1-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,2-dioxo-[1,3]thiazolo[5,4-c]thiazin-4-ol;ethane;yttrium
CID 158137082
[4-(2-methylphenyl)-3-pyridinyl]boronic acid
CID 156775020
1-ethyl-5,6-dimethyl-3-(2-methylphenyl)-2,2-dioxothieno[2,3-c]thiazin-4-ol
CID 66600094
carbanide;ethane;1-ethyl-3-(2-methylphenyl)-2,2-dioxo-6-phenylthieno[3,2-c]thiazin-4-ol;yttrium
CID 159036934
carbanide;ethane;6-(2-methylphenyl)-5,5-dioxo-4-prop-2-ynyl-[1,2,5]thiadiazolo[3,4-c]thiazin-7-ol;yttrium
CID 159338038
3-(2-methylphenyl)-2,2-dioxo-1-prop-2-ynyl-[1,3]thiazolo[4,5-c]thiazin-4-ol
CID 87068076
1-[4-(2-methylphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129257632

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol?
The IUPAC name of 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol (CID 66678276) is 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol.
What is the SMILES notation for 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol?
The canonical SMILES for 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol is C=CCN1c2cnccc2C(O)=C(c2ccccc2C)S1(=O)=O.
What is the InChIKey of 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol?
The InChIKey is DTRIJBDFCXJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-10-19-15-11-18-9-8-14(15)16(20)17(23(19,21)22)13-7-5-4-6-12(13)2/h3-9,11,20H,1,10H2,2H3.
What are the key properties of 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol?
3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol has a molecular weight of 328.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2,2-dioxo-1-prop-2-enylpyrido[3,4-c]thiazin-4-ol is sourced from PubChem (CID 66678276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).