N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide

C18H18N2O2S — CID 18585507

IUPACN-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3scnc3c2)cc1
InChIInChI=1S/C18H18N2O2S/c1-2-3-10-22-15-7-4-13(5-8-15)18(21)20-14-6-9-17-16(11-14)19-12-23-17/h4-9,11-12H,2-3,10H2,1H3,(H,20,21)
InChIKeyKUKDYLOURTYFJG-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.73
Rot. Bonds6

About N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide

N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide (PubChem CID 18585507) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
PubChem CID18585507
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3scnc3c2)cc1
InChIInChI=1S/C18H18N2O2S/c1-2-3-10-22-15-7-4-13(5-8-15)18(21)20-14-6-9-17-16(11-14)19-12-23-17/h4-9,11-12H,2-3,10H2,1H3,(H,20,21)
InChIKeyKUKDYLOURTYFJG-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide 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-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
CID 18585520
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-butoxy-N-pyrazolo[1,5-a]pyridin-5-ylbenzamide
CID 86266822
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide
CID 131928789

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide (CID 18585507) is N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc3scnc3c2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide?
The InChIKey is KUKDYLOURTYFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-3-10-22-15-7-4-13(5-8-15)18(21)20-14-6-9-17-16(11-14)19-12-23-17/h4-9,11-12H,2-3,10H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide?
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide has a molecular weight of 326.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide is sourced from PubChem (CID 18585507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).