2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide

C17H16N4O2S — CID 135879160

IUPAC2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide
SMILESCc1cccc(/N=C2/NN=C(c3ccc(O)c(C(N)=O)c3)CS2)c1
InChIInChI=1S/C17H16N4O2S/c1-10-3-2-4-12(7-10)19-17-21-20-14(9-24-17)11-5-6-15(22)13(8-11)16(18)23/h2-8,22H,9H2,1H3,(H2,18,23)(H,19,21)
InChIKeyQMNRCZCCMLRYSL-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.53
Rot. Bonds3

About 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide

2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide (PubChem CID 135879160) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide
PubChem CID135879160
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide
SMILESCc1cccc(/N=C2/NN=C(c3ccc(O)c(C(N)=O)c3)CS2)c1
InChIInChI=1S/C17H16N4O2S/c1-10-3-2-4-12(7-10)19-17-21-20-14(9-24-17)11-5-6-15(22)13(8-11)16(18)23/h2-8,22H,9H2,1H3,(H2,18,23)(H,19,21)
InChIKeyQMNRCZCCMLRYSL-UHFFFAOYSA-N
XLogP2.53
TPSA100.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'thio_urea_L(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-chlorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-2-hydroxybenzamide
CID 135950020
5-(furan-2-yl)-N-(3-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135569723
N-(3-bromophenyl)-5-(3,4-dimethoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135794908
5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135728913
N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride
CID 135802474
N-(3-bromophenyl)-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135893457
N-(3-chlorophenyl)-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135893458
N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135672979
5-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 137301730
(Z)-5-(3-methylsulfonylphenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 136541353
5-[2-(2-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1-methyl-3H-indol-2-one
CID 135892371
N-(2,4-difluorophenyl)-5-(4-methyl-3-nitrophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135775089

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide (CID 135879160) is 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide is Cc1cccc(/N=C2/NN=C(c3ccc(O)c(C(N)=O)c3)CS2)c1.
What is the InChIKey of 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide?
The InChIKey is QMNRCZCCMLRYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-3-2-4-12(7-10)19-17-21-20-14(9-24-17)11-5-6-15(22)13(8-11)16(18)23/h2-8,22H,9H2,1H3,(H2,18,23)(H,19,21).
What are the key properties of 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide?
2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide has a molecular weight of 340.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(3-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]benzamide is sourced from PubChem (CID 135879160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).