N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide

C21H25N3O2S — CID 7510713

IUPACN-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
SMILESCOc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(C)cc3C)nc2c1
InChIInChI=1S/C21H25N3O2S/c1-14-6-8-17(15(2)12-14)20(25)24(11-10-23(3)4)21-22-18-13-16(26-5)7-9-19(18)27-21/h6-9,12-13H,10-11H2,1-5H3
InChIKeySUJIRDOWRDQNOI-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide

N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide (PubChem CID 7510713) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
PubChem CID7510713
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
SMILESCOc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(C)cc3C)nc2c1
InChIInChI=1S/C21H25N3O2S/c1-14-6-8-17(15(2)12-14)20(25)24(11-10-23(3)4)21-22-18-13-16(26-5)7-9-19(18)27-21/h6-9,12-13H,10-11H2,1-5H3
InChIKeySUJIRDOWRDQNOI-UHFFFAOYSA-N
XLogP4.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7512619
N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride
CID 44928725
N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41344324
N-[2-(dimethylamino)ethyl]-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7510633
N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7512597
2-[(2,4-dimethylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511279
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,4-dimethylbenzamide
CID 7510615
N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44924341
N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 41348203
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 7525126
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519222

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide (CID 7510713) is N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide is COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(C)cc3C)nc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide?
The InChIKey is SUJIRDOWRDQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14-6-8-17(15(2)12-14)20(25)24(11-10-23(3)4)21-22-18-13-16(26-5)7-9-19(18)27-21/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide?
N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide has a molecular weight of 383.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 7510713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).