2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine

C11H8N2S2 — CID 69165458

IUPAC2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine
SMILESC1=C(c2nccs2)Sc2ccccc2N1
InChIInChI=1S/C11H8N2S2/c1-2-4-9-8(3-1)13-7-10(15-9)11-12-5-6-14-11/h1-7,13H
InChIKeyUHYGVGHIRAZVRI-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.66
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine

2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine (PubChem CID 69165458) has the molecular formula C11H8N2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine
PubChem CID69165458
Molecular FormulaC11H8N2S2
Molecular Weight232.33 g/mol
Exact Mass232.01
IUPAC Name2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine
SMILESC1=C(c2nccs2)Sc2ccccc2N1
InChIInChI=1S/C11H8N2S2/c1-2-4-9-8(3-1)13-7-10(15-9)11-12-5-6-14-11/h1-7,13H
InChIKeyUHYGVGHIRAZVRI-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Thiazolium, 3-phenyl-, bromide
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N-phenyl-1,3-thiazole-2-carbothioamide
CID 13641209
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-phenylpropane-1,3-diamine
CID 71859812
3,5-difluoro-N-[(1,3-thiazol-5-yl)methyl]aniline
CID 20699525
4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683496
2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline
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CID 137506896

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine?
The IUPAC name of 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine (CID 69165458) is 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine is C1=C(c2nccs2)Sc2ccccc2N1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine?
The InChIKey is UHYGVGHIRAZVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S2/c1-2-4-9-8(3-1)13-7-10(15-9)11-12-5-6-14-11/h1-7,13H.
What are the key properties of 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine?
2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine has a molecular weight of 232.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine is sourced from PubChem (CID 69165458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).