2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide

C18H22N2O3S — CID 51135240

IUPAC2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCc2nc3c(s2)CCCC3)c(O)c1
InChIInChI=1S/C18H22N2O3S/c1-23-12-8-9-13(15(21)11-12)18(22)19-10-4-7-17-20-14-5-2-3-6-16(14)24-17/h8-9,11,21H,2-7,10H2,1H3,(H,19,22)
InChIKeyJZTSOWLYLOAJQA-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.10
Rot. Bonds6

About 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide

2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide (PubChem CID 51135240) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
PubChem CID51135240
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCc2nc3c(s2)CCCC3)c(O)c1
InChIInChI=1S/C18H22N2O3S/c1-23-12-8-9-13(15(21)11-12)18(22)19-10-4-7-17-20-14-5-2-3-6-16(14)24-17/h8-9,11,21H,2-7,10H2,1H3,(H,19,22)
InChIKeyJZTSOWLYLOAJQA-UHFFFAOYSA-N
XLogP3.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide 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-fluoro-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
CID 110441669
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
1-amino-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopentane-1-carboxamide
CID 119316792
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]guanidine
CID 111250773
2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 60709611
N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388550
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
2-bromo-5-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 25466331
4-acetyl-3-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylamino]benzonitrile
CID 133457450
2-(aminomethyl)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119771916

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide (CID 51135240) is 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide is COc1ccc(C(=O)NCCCc2nc3c(s2)CCCC3)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide?
The InChIKey is JZTSOWLYLOAJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-12-8-9-13(15(21)11-12)18(22)19-10-4-7-17-20-14-5-2-3-6-16(14)24-17/h8-9,11,21H,2-7,10H2,1H3,(H,19,22).
What are the key properties of 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide?
2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 51135240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).