2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide

C15H16N2O3S — CID 50939132

IUPAC2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
SMILESCOc1ccc2c(c1)CCc1sc(NC(=O)C(C)O)nc1-2
InChIInChI=1S/C15H16N2O3S/c1-8(18)14(19)17-15-16-13-11-5-4-10(20-2)7-9(11)3-6-12(13)21-15/h4-5,7-8,18H,3,6H2,1-2H3,(H,16,17,19)
InChIKeyLWSYXXSIXPTDLY-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.24
Rot. Bonds3

About 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide

2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide (PubChem CID 50939132) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
PubChem CID50939132
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
SMILESCOc1ccc2c(c1)CCc1sc(NC(=O)C(C)O)nc1-2
InChIInChI=1S/C15H16N2O3S/c1-8(18)14(19)17-15-16-13-11-5-4-10(20-2)7-9(11)3-6-12(13)21-15/h4-5,7-8,18H,3,6H2,1-2H3,(H,16,17,19)
InChIKeyLWSYXXSIXPTDLY-UHFFFAOYSA-N
XLogP2.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide 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

4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4103019
2-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 1209992
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide
CID 2727896
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-nitrobenzamide
CID 126058605
N-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62921983
2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 74077421
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methylbenzamide
CID 4107573
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine
CID 62652486
N-hydroxy-N'-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimidamide
CID 6409661
2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile
CID 24693523
N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 769130

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide?
The IUPAC name of 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide (CID 50939132) is 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide is COc1ccc2c(c1)CCc1sc(NC(=O)C(C)O)nc1-2.
What is the InChIKey of 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide?
The InChIKey is LWSYXXSIXPTDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-8(18)14(19)17-15-16-13-11-5-4-10(20-2)7-9(11)3-6-12(13)21-15/h4-5,7-8,18H,3,6H2,1-2H3,(H,16,17,19).
What are the key properties of 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide?
2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide has a molecular weight of 304.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide is sourced from PubChem (CID 50939132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).