(3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine

C13H11N3S — CID 11010098

IUPAC(3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine
SMILESC(=C1/CSc2ccccc2N1)\c1cccnn1
InChIInChI=1S/C13H11N3S/c1-2-6-13-12(5-1)15-11(9-17-13)8-10-4-3-7-14-16-10/h1-8,15H,9H2/b11-8-
InChIKeyLSUHGWYZOLNSAI-FLIBITNWSA-N
MW241.32 g/mol
LogP3.04
Rot. Bonds1

About (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine

(3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine (PubChem CID 11010098) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine.

Molecular Properties

Compound Name(3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine
PubChem CID11010098
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name(3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine
SMILESC(=C1/CSc2ccccc2N1)\c1cccnn1
InChIInChI=1S/C13H11N3S/c1-2-6-13-12(5-1)15-11(9-17-13)8-10-4-3-7-14-16-10/h1-8,15H,9H2/b11-8-
InChIKeyLSUHGWYZOLNSAI-FLIBITNWSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine with MolForge

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Related Compounds

4H-1,4-benzothiazin-3-one;molecular hydrogen;propane
CID 144540149
2-(4H-1,4-benzothiazin-3-ylidene)-2-nitroacetic acid
CID 173254358
3,25-dithia-10,18-diazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),4,6,8,12(32),13,15,19,21,23,27,29-dodecaene
CID 101109428
2,3-dihydro-1,3-benzothiazole;ethene
CID 143195772
(2E)-2-(4H-1,4-benzothiazin-3-ylidene)-2-(3,4-dichlorophenyl)acetonitrile
CID 70533275
2-(4H-1,4-benzothiazin-3-ylidene)-2-(4-methylphenyl)acetonitrile
CID 70532653
spiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopropane]-4-one
CID 115099051
copper;10H-phenothiazine;hydrochloride
CID 70634229
ethane;10H-phenothiazine
CID 90730014
(3S)-3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 10910414
(2E)-2-(4H-1,4-benzothiazin-3-ylidene)-2-(2,4-dichlorophenyl)acetonitrile
CID 70533706
2-(4H-1,4-benzothiazin-3-ylidene)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 70532833

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine?
The IUPAC name of (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine (CID 11010098) is (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine.
What is the SMILES notation for (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine?
The canonical SMILES for (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine is C(=C1/CSc2ccccc2N1)\c1cccnn1.
What is the InChIKey of (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine?
The InChIKey is LSUHGWYZOLNSAI-FLIBITNWSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-6-13-12(5-1)15-11(9-17-13)8-10-4-3-7-14-16-10/h1-8,15H,9H2/b11-8-.
What are the key properties of (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine?
(3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine has a molecular weight of 241.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(pyridazin-3-ylmethylidene)-4H-1,4-benzothiazine is sourced from PubChem (CID 11010098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).