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

C23H29FN4OS — CID 7489890

IUPAC4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C23H29FN4OS/c1-5-27(6-2)19-11-8-17(9-12-19)22(29)28(15-7-14-26(3)4)23-25-20-13-10-18(24)16-21(20)30-23/h8-13,16H,5-7,14-15H2,1-4H3
InChIKeyFJUSRYVCTQJMAO-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.88
Rot. Bonds9

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

4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7489890) has the molecular formula C23H29FN4OS and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID7489890
Molecular FormulaC23H29FN4OS
Molecular Weight428.58 g/mol
Exact Mass428.20
IUPAC Name4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C23H29FN4OS/c1-5-27(6-2)19-11-8-17(9-12-19)22(29)28(15-7-14-26(3)4)23-25-20-13-10-18(24)16-21(20)30-23/h8-13,16H,5-7,14-15H2,1-4H3
InChIKeyFJUSRYVCTQJMAO-UHFFFAOYSA-N
XLogP4.88
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929621
N-[3-(dimethylamino)propyl]-3,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43964432
4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16808644
N-[3-(dimethylamino)propyl]-3-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7208614
N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16799048
3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41347064
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(diethylamino)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44923398
4-[butyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929857
N-[3-(dimethylamino)propyl]-3-ethylsulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41045359
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-fluorobenzamide
CID 16799074
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide;hydrochloride
CID 44929710
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 16799034

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 7489890) is 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is CCN(CC)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FJUSRYVCTQJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4OS/c1-5-27(6-2)19-11-8-17(9-12-19)22(29)28(15-7-14-26(3)4)23-25-20-13-10-18(24)16-21(20)30-23/h8-13,16H,5-7,14-15H2,1-4H3.
What are the key properties of 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7489890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).