N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide

C25H30FN3O3S — CID 29137716

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C25H30FN3O3S/c1-2-3-4-16-32-20-10-8-19(9-11-20)24(30)29(13-12-28-14-17-31-18-15-28)25-27-23-21(26)6-5-7-22(23)33-25/h5-11H,2-4,12-18H2,1H3
InChIKeyPTBCUKMIKRPREB-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.98
Rot. Bonds10

About N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide (PubChem CID 29137716) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide
PubChem CID29137716
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C25H30FN3O3S/c1-2-3-4-16-32-20-10-8-19(9-11-20)24(30)29(13-12-28-14-17-31-18-15-28)25-27-23-21(26)6-5-7-22(23)33-25/h5-11H,2-4,12-18H2,1H3
InChIKeyPTBCUKMIKRPREB-UHFFFAOYSA-N
XLogP4.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide 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-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-pentoxybenzamide
CID 43999271
4-acetyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137701
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622447
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44933091
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 43959806
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933048
4-butoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 30462535
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-pentoxybenzamide;hydrochloride
CID 44930439
2-(4-ethoxyphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997637
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 7622457
4-butoxy-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44929334
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29138055

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide (CID 29137716) is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cccc3s2)cc1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide?
The InChIKey is PTBCUKMIKRPREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3S/c1-2-3-4-16-32-20-10-8-19(9-11-20)24(30)29(13-12-28-14-17-31-18-15-28)25-27-23-21(26)6-5-7-22(23)33-25/h5-11H,2-4,12-18H2,1H3.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide has a molecular weight of 471.60 g/mol, XLogP of 4.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pentoxybenzamide is sourced from PubChem (CID 29137716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).