N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C20H23N3O3S — CID 7507384

IUPACN-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccccc3OC)sc2c1
InChIInChI=1S/C20H23N3O3S/c1-22(2)11-12-23(19(24)15-7-5-6-8-17(15)26-4)20-21-16-10-9-14(25-3)13-18(16)27-20/h5-10,13H,11-12H2,1-4H3
InChIKeyMWSXZEBOASBTTC-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7507384) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID7507384
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccccc3OC)sc2c1
InChIInChI=1S/C20H23N3O3S/c1-22(2)11-12-23(19(24)15-7-5-6-8-17(15)26-4)20-21-16-10-9-14(25-3)13-18(16)27-20/h5-10,13H,11-12H2,1-4H3
InChIKeyMWSXZEBOASBTTC-UHFFFAOYSA-N
XLogP3.52
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507382
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methoxybenzamide
CID 18563990
N-[2-(dimethylamino)ethyl]-2-ethylsulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44927938
N-[3-(dimethylamino)propyl]-2-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41045088
N-[2-(dimethylamino)ethyl]-2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507934
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide;hydrochloride
CID 44923124
N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511805
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 7507317
N-[2-(dimethylamino)ethyl]-2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44922999
N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41344324
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507331
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide;hydrochloride
CID 44922996

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 7507384) is N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(N(CCN(C)C)C(=O)c3ccccc3OC)sc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MWSXZEBOASBTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-22(2)11-12-23(19(24)15-7-5-6-8-17(15)26-4)20-21-16-10-9-14(25-3)13-18(16)27-20/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7507384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).