N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

C25H33N3O2S — CID 43959614

IUPACN-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(OC(C)C)cc3)sc2c1
InChIInChI=1S/C25H33N3O2S/c1-6-19-9-14-22-23(17-19)31-25(26-22)28(16-15-27(7-2)8-3)24(29)20-10-12-21(13-11-20)30-18(4)5/h9-14,17-18H,6-8,15-16H2,1-5H3
InChIKeyCVLPTHYOLFXCML-UHFFFAOYSA-N
MW439.63 g/mol
LogP5.63
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 43959614) has the molecular formula C25H33N3O2S and a molecular weight of 439.63 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
PubChem CID43959614
Molecular FormulaC25H33N3O2S
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC NameN-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(OC(C)C)cc3)sc2c1
InChIInChI=1S/C25H33N3O2S/c1-6-19-9-14-22-23(17-19)31-25(26-22)28(16-15-27(7-2)8-3)24(29)20-10-12-21(13-11-20)30-18(4)5/h9-14,17-18H,6-8,15-16H2,1-5H3
InChIKeyCVLPTHYOLFXCML-UHFFFAOYSA-N
XLogP5.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.63
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 43959567
N-[2-(diethylamino)ethyl]-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44926504
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide;hydrochloride
CID 44927930
N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41345306
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide;hydrochloride
CID 44923397
3-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925645
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-fluorobenzamide;hydrochloride
CID 44925651
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methoxybenzamide
CID 7511395
N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41345400
dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]propyl]azanium
CID 7208577
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-propan-2-yloxybenzamide;hydrochloride
CID 44930035
N-[2-(diethylamino)ethyl]-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511231

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (CID 43959614) is N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(OC(C)C)cc3)sc2c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is CVLPTHYOLFXCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2S/c1-6-19-9-14-22-23(17-19)31-25(26-22)28(16-15-27(7-2)8-3)24(29)20-10-12-21(13-11-20)30-18(4)5/h9-14,17-18H,6-8,15-16H2,1-5H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 439.63 g/mol, XLogP of 5.63, 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-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 43959614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).