(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one

C11H8N2OS2 — CID 135753731

IUPAC(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=C/c2nc3ccccc3s2)N1
InChIInChI=1S/C11H8N2OS2/c14-9-6-15-10(13-9)5-11-12-7-3-1-2-4-8(7)16-11/h1-5H,6H2,(H,13,14)/b10-5+
InChIKeyXJWRTKVKIVPNKO-BJMVGYQFSA-N
MW248.33 g/mol
LogP2.46
Rot. Bonds1

About (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one

(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135753731) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135753731
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=C/c2nc3ccccc3s2)N1
InChIInChI=1S/C11H8N2OS2/c14-9-6-15-10(13-9)5-11-12-7-3-1-2-4-8(7)16-11/h1-5H,6H2,(H,13,14)/b10-5+
InChIKeyXJWRTKVKIVPNKO-BJMVGYQFSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Accelerator DM
CID 8447
2-(Thiocyanomethylthio)benzothiazole
CID 30692
2-(Methylthio)benzothiazole
CID 11989
N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
CID 7230
2-Methylbenzothiazole
CID 8446
2-(2-Benzothiazolylthio)acetic acid
CID 80525
2-Benzothiazolemethanamine
CID 350414
N-(2-Methyl-6-benzothiazolyl)acetamide
CID 596481
1,3-Bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-one
CID 1240423
1,3-Bis(benzothiazol-2-ylthiomethyl)urea
CID 66766
2-(1,3-Benzothiazol-2-yl)ethan-1-amine
CID 4962595
2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
CID 9583641

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135753731) is (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=C/c2nc3ccccc3s2)N1.
What is the InChIKey of (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is XJWRTKVKIVPNKO-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H8N2OS2/c14-9-6-15-10(13-9)5-11-12-7-3-1-2-4-8(7)16-11/h1-5H,6H2,(H,13,14)/b10-5+.
What are the key properties of (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135753731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).