methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate

C24H29N3O5S — CID 43961719

IUPACmethyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
SMILESCCN(CC)CCN(C(=O)c1ccccc1C(=O)OC)c1nc2c(OC)ccc(OC)c2s1
InChIInChI=1S/C24H29N3O5S/c1-6-26(7-2)14-15-27(22(28)16-10-8-9-11-17(16)23(29)32-5)24-25-20-18(30-3)12-13-19(31-4)21(20)33-24/h8-13H,6-7,14-15H2,1-5H3
InChIKeyBUORCTDPJRFLJH-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.09
Rot. Bonds10

About methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate

methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate (PubChem CID 43961719) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
PubChem CID43961719
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Namemethyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
SMILESCCN(CC)CCN(C(=O)c1ccccc1C(=O)OC)c1nc2c(OC)ccc(OC)c2s1
InChIInChI=1S/C24H29N3O5S/c1-6-26(7-2)14-15-27(22(28)16-10-8-9-11-17(16)23(29)32-5)24-25-20-18(30-3)12-13-19(31-4)21(20)33-24/h8-13H,6-7,14-15H2,1-5H3
InChIKeyBUORCTDPJRFLJH-UHFFFAOYSA-N
XLogP4.09
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate 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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7512003
2-bromo-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44927192
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
CID 41076398
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 41346709
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 41346632
N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 41046769
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride
CID 44927287
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide;hydrochloride
CID 44924846
N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 7511987
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
CID 43961617
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)acetamide
CID 43961651
3-chloro-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 41346627

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate (CID 43961719) is methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate is CCN(CC)CCN(C(=O)c1ccccc1C(=O)OC)c1nc2c(OC)ccc(OC)c2s1.
What is the InChIKey of methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
The InChIKey is BUORCTDPJRFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-6-26(7-2)14-15-27(22(28)16-10-8-9-11-17(16)23(29)32-5)24-25-20-18(30-3)12-13-19(31-4)21(20)33-24/h8-13H,6-7,14-15H2,1-5H3.
What are the key properties of methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate?
methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate has a molecular weight of 471.58 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 43961719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).