N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide

C23H29N3O2S — CID 7511811

IUPACN-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESCCN(CC)CCN(C(=O)CCc1ccccc1)c1nc2cc(OC)ccc2s1
InChIInChI=1S/C23H29N3O2S/c1-4-25(5-2)15-16-26(22(27)14-11-18-9-7-6-8-10-18)23-24-20-17-19(28-3)12-13-21(20)29-23/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3
InChIKeyPRURDUODIIFANI-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.61
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide

N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide (PubChem CID 7511811) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
PubChem CID7511811
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESCCN(CC)CCN(C(=O)CCc1ccccc1)c1nc2cc(OC)ccc2s1
InChIInChI=1S/C23H29N3O2S/c1-4-25(5-2)15-16-26(22(27)14-11-18-9-7-6-8-10-18)23-24-20-17-19(28-3)12-13-21(20)29-23/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3
InChIKeyPRURDUODIIFANI-UHFFFAOYSA-N
XLogP4.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide 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-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 43960027
N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 41346200
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-phenylpropanamide
CID 41345278
N-[2-(diethylamino)ethyl]-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 44926502
N-[2-(diethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44894449
N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511805
2-chloro-N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511771
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 16808536
N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 43961325
N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide;hydrochloride
CID 44991283
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324457
4-tert-butyl-N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44926688

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide (CID 7511811) is N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide is CCN(CC)CCN(C(=O)CCc1ccccc1)c1nc2cc(OC)ccc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The InChIKey is PRURDUODIIFANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-4-25(5-2)15-16-26(22(27)14-11-18-9-7-6-8-10-18)23-24-20-17-19(28-3)12-13-21(20)29-23/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide has a molecular weight of 411.57 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 7511811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).