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

C20H21F2N3OS — CID 7511642

IUPACN-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2c(F)cccc2s1
InChIInChI=1S/C20H21F2N3OS/c1-3-24(4-2)11-12-25(19(26)14-7-5-8-15(21)13-14)20-23-18-16(22)9-6-10-17(18)27-20/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyMGDXLDOZXOBVQK-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.56
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7511642) has the molecular formula C20H21F2N3OS and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID7511642
Molecular FormulaC20H21F2N3OS
Molecular Weight389.47 g/mol
Exact Mass389.14
IUPAC NameN-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2c(F)cccc2s1
InChIInChI=1S/C20H21F2N3OS/c1-3-24(4-2)11-12-25(19(26)14-7-5-8-15(21)13-14)20-23-18-16(22)9-6-10-17(18)27-20/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyMGDXLDOZXOBVQK-UHFFFAOYSA-N
XLogP4.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7511634
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43962145
N-[2-(diethylamino)ethyl]-2,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43960997
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-fluorobenzamide
CID 7294738
4-bromo-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44926100
4-benzyl-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43959809
2,5-dichloro-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 41345638
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 7511685
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-fluorobenzamide;hydrochloride
CID 44928767
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-fluorobenzamide;hydrochloride
CID 44925651
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 7512021
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 41345648

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 7511642) is N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide is CCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MGDXLDOZXOBVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3OS/c1-3-24(4-2)11-12-25(19(26)14-7-5-8-15(21)13-14)20-23-18-16(22)9-6-10-17(18)27-20/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 389.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7511642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).