8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one

C17H18N4O2S — CID 88935135

IUPAC8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILESC=C=C1C(=O)Nc2ccc3nc(NCCN4CCOCC4)sc3c21
InChIInChI=1S/C17H18N4O2S/c1-2-11-14-12(19-16(11)22)3-4-13-15(14)24-17(20-13)18-5-6-21-7-9-23-10-8-21/h3-4H,1,5-10H2,(H,18,20)(H,19,22)
InChIKeyGMKYBECUXFVQOJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.16
Rot. Bonds4

About 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one

8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one (PubChem CID 88935135) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one.

Molecular Properties

Compound Name8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
PubChem CID88935135
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILESC=C=C1C(=O)Nc2ccc3nc(NCCN4CCOCC4)sc3c21
InChIInChI=1S/C17H18N4O2S/c1-2-11-14-12(19-16(11)22)3-4-13-15(14)24-17(20-13)18-5-6-21-7-9-23-10-8-21/h3-4H,1,5-10H2,(H,18,20)(H,19,22)
InChIKeyGMKYBECUXFVQOJ-UHFFFAOYSA-N
XLogP2.16
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one 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

N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine
CID 15986173
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 45496623
5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione
CID 16767731
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 82548601
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride
CID 18460654
N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366070
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 143962241
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
CID 45099975
N-[2-(4-methylpiperidin-1-yl)ethyl]-6-nitro-1,3-benzothiazol-2-amine
CID 56575135
3-(1,3-benzothiazol-2-ylamino)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 154873885

Frequently Asked Questions

What is the IUPAC name of 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The IUPAC name of 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one (CID 88935135) is 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one.
What is the SMILES notation for 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The canonical SMILES for 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one is C=C=C1C(=O)Nc2ccc3nc(NCCN4CCOCC4)sc3c21.
What is the InChIKey of 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The InChIKey is GMKYBECUXFVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-11-14-12(19-16(11)22)3-4-13-15(14)24-17(20-13)18-5-6-21-7-9-23-10-8-21/h3-4H,1,5-10H2,(H,18,20)(H,19,22).
What are the key properties of 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one has a molecular weight of 342.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenylidene-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one is sourced from PubChem (CID 88935135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).