(2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole

C12H15NOS — CID 59989538

IUPAC(2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole
SMILESC/C=C1\Sc2cc(OC)ccc2N1CC
InChIInChI=1S/C12H15NOS/c1-4-12-13(5-2)10-7-6-9(14-3)8-11(10)15-12/h4,6-8H,5H2,1-3H3/b12-4-
InChIKeyINZJEOIMSMCHBR-QCDXTXTGSA-N
MW221.32 g/mol
LogP3.49
Rot. Bonds2

About (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole

(2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole (PubChem CID 59989538) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name(2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole
PubChem CID59989538
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name(2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole
SMILESC/C=C1\Sc2cc(OC)ccc2N1CC
InChIInChI=1S/C12H15NOS/c1-4-12-13(5-2)10-7-6-9(14-3)8-11(10)15-12/h4,6-8H,5H2,1-3H3/b12-4-
InChIKeyINZJEOIMSMCHBR-QCDXTXTGSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)butan-2-one
CID 2894069
(2Z)-3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-6-phenyl-1,3-benzothiazole
CID 6073677
(10-ethylphenothiazin-3-yl) formate
CID 174918286
3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine
CID 134281928
3-ethyl-5-[2-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-phenylethylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 542877
(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(2E)-2-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-1-phenylethylidene]-1,3-thiazolidin-4-one
CID 98286031
3-methoxy-10-methylphenothiazine
CID 18761115
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzothiazole;ethyl sulfate
CID 10984469
(2Z)-3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole
CID 45488821
3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole iodide
CID 158804458
(2Z)-3-ethyl-2-[[(7E)-7-[(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-6-methoxy-1,3-benzothiazole
CID 44669224
(2Z)-3-ethyl-2-[(2E)-2-[3-[(E)-2-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)ethenyl]-2-phenoxycyclopenta-2,4-dien-1-ylidene]ethylidene]-6-methoxy-1,3-benzothiazole
CID 58965902

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole?
The IUPAC name of (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole (CID 59989538) is (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole?
The canonical SMILES for (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole is C/C=C1\Sc2cc(OC)ccc2N1CC.
What is the InChIKey of (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole?
The InChIKey is INZJEOIMSMCHBR-QCDXTXTGSA-N. The full InChI is InChI=1S/C12H15NOS/c1-4-12-13(5-2)10-7-6-9(14-3)8-11(10)15-12/h4,6-8H,5H2,1-3H3/b12-4-.
What are the key properties of (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole?
(2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole has a molecular weight of 221.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 59989538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).