N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide

C24H31N3OS2 — CID 43962789

IUPACN-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)N(CCN(CC)CC)c1nc2c(CC)cccc2s1
InChIInChI=1S/C24H31N3OS2/c1-5-18-12-11-15-21-22(18)25-24(30-21)27(17-16-26(6-2)7-3)23(28)19-13-9-10-14-20(19)29-8-4/h9-15H,5-8,16-17H2,1-4H3
InChIKeyRLDYCJZFACEDCM-UHFFFAOYSA-N
MW441.67 g/mol
LogP5.96
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide

N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide (PubChem CID 43962789) has the molecular formula C24H31N3OS2 and a molecular weight of 441.67 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
PubChem CID43962789
Molecular FormulaC24H31N3OS2
Molecular Weight441.67 g/mol
Exact Mass441.19
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)N(CCN(CC)CC)c1nc2c(CC)cccc2s1
InChIInChI=1S/C24H31N3OS2/c1-5-18-12-11-15-21-22(18)25-24(30-21)27(17-16-26(6-2)7-3)23(28)19-13-9-10-14-20(19)29-8-4/h9-15H,5-8,16-17H2,1-4H3
InChIKeyRLDYCJZFACEDCM-UHFFFAOYSA-N
XLogP5.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.67
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide 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-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 43962794
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 43962792
N-[2-(diethylamino)ethyl]-2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7511493
N-[3-(dimethylamino)propyl]-2-ethylsulfanyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44932066
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41045691
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylbenzamide
CID 7511707
N-(4-chloro-1,3-benzothiazol-2-yl)-2-ethylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 30460845
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
CID 40697587
2,5-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44946506
N-[2-(diethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzamide
CID 41046430
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838606
N-[2-(diethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzamide
CID 41046545

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide (CID 43962789) is N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)N(CCN(CC)CC)c1nc2c(CC)cccc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The InChIKey is RLDYCJZFACEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS2/c1-5-18-12-11-15-21-22(18)25-24(30-21)27(17-16-26(6-2)7-3)23(28)19-13-9-10-14-20(19)29-8-4/h9-15H,5-8,16-17H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide has a molecular weight of 441.67 g/mol, XLogP of 5.96, 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-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide is sourced from PubChem (CID 43962789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).