(2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one

C12H10N2OS2 — CID 2378313

IUPAC(2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H]1S/C(=C/c2nc3ccccc3s2)NC1=O
InChIInChI=1S/C12H10N2OS2/c1-7-12(15)14-11(16-7)6-10-13-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H,14,15)/b11-6+/t7-/m1/s1
InChIKeyHSYMBHRVGHAECW-PKTIUJEHSA-N
MW262.36 g/mol
LogP2.85
Rot. Bonds1

About (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one

(2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 2378313) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one
PubChem CID2378313
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name(2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H]1S/C(=C/c2nc3ccccc3s2)NC1=O
InChIInChI=1S/C12H10N2OS2/c1-7-12(15)14-11(16-7)6-10-13-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H,14,15)/b11-6+/t7-/m1/s1
InChIKeyHSYMBHRVGHAECW-PKTIUJEHSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine
CID 102287449
2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,3-benzothiazole
CID 11790904
zinc bis((3Z)-3-(1,3-benzothiazol-2-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide)
CID 135462979
methyl 2-[(Z)-[(2Z)-2-(1,3-benzothiazol-2-ylmethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135700596
N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 18117537
2-(2,2-dibromoethenyl)-1,3-benzothiazole
CID 139773786
(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
CID 135703658
(2R)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]-3-oxopropanenitrile
CID 51941997
(E)-3-(1,3-benzothiazol-2-yl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 6211925
(E)-3-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7478852

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one (CID 2378313) is (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one is C[C@H]1S/C(=C/c2nc3ccccc3s2)NC1=O.
What is the InChIKey of (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is HSYMBHRVGHAECW-PKTIUJEHSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-7-12(15)14-11(16-7)6-10-13-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H,14,15)/b11-6+/t7-/m1/s1.
What are the key properties of (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one?
(2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 262.36 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-2-(1,3-benzothiazol-2-ylmethylidene)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2378313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).