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

C23H30N4OS — CID 7489892

IUPAC4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C23H30N4OS/c1-6-17-8-13-20-21(16-17)29-23(24-20)27(15-7-14-25(2)3)22(28)18-9-11-19(12-10-18)26(4)5/h8-13,16H,6-7,14-15H2,1-5H3
InChIKeyJKANEKGVWAUSSX-UHFFFAOYSA-N
MW410.59 g/mol
LogP4.52
Rot. Bonds8

About 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7489892) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7489892
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C23H30N4OS/c1-6-17-8-13-20-21(16-17)29-23(24-20)27(15-7-14-25(2)3)22(28)18-9-11-19(12-10-18)26(4)5/h8-13,16H,6-7,14-15H2,1-5H3
InChIKeyJKANEKGVWAUSSX-UHFFFAOYSA-N
XLogP4.52
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 43963724
N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7512223
methyl 4-[2-(dimethylamino)ethyl-(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7208109
4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929621
N-[3-(dimethylamino)propyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41347320
4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7489890
N-[3-(dimethylamino)propyl]-3,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7208561
3-[[4-(dimethylamino)benzoyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7162474
N-[2-(dimethylamino)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41343533
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 44923434
N-[3-(dimethylamino)propyl]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16798992
3-butoxy-N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 43958687

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (CID 7489892) is 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide is CCc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(N(C)C)cc3)sc2c1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JKANEKGVWAUSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-6-17-8-13-20-21(16-17)29-23(24-20)27(15-7-14-25(2)3)22(28)18-9-11-19(12-10-18)26(4)5/h8-13,16H,6-7,14-15H2,1-5H3.
What are the key properties of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 410.59 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7489892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).