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

C25H26FN3OS — CID 43959817

IUPACN-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide
SMILESCCN(CC)CCN(C(=O)Cc1cccc2ccccc12)c1nc2c(F)cccc2s1
InChIInChI=1S/C25H26FN3OS/c1-3-28(4-2)15-16-29(25-27-24-21(26)13-8-14-22(24)31-25)23(30)17-19-11-7-10-18-9-5-6-12-20(18)19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyDHJBIHOKWQLBHW-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.51
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide (PubChem CID 43959817) has the molecular formula C25H26FN3OS and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide
PubChem CID43959817
Molecular FormulaC25H26FN3OS
Molecular Weight435.57 g/mol
Exact Mass435.18
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide
SMILESCCN(CC)CCN(C(=O)Cc1cccc2ccccc12)c1nc2c(F)cccc2s1
InChIInChI=1S/C25H26FN3OS/c1-3-28(4-2)15-16-29(25-27-24-21(26)13-8-14-22(24)31-25)23(30)17-19-11-7-10-18-9-5-6-12-20(18)19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyDHJBIHOKWQLBHW-UHFFFAOYSA-N
XLogP5.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44925952
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341316
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 41345648
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylacetamide
CID 41344813
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 43960657
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16821548
N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7511642
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 41026388
4-benzyl-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43959809
4-bromo-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44926100
N-[2-(diethylamino)ethyl]-2,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43960997
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 43962158

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide (CID 43959817) is N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide is CCN(CC)CCN(C(=O)Cc1cccc2ccccc12)c1nc2c(F)cccc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is DHJBIHOKWQLBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3OS/c1-3-28(4-2)15-16-29(25-27-24-21(26)13-8-14-22(24)31-25)23(30)17-19-11-7-10-18-9-5-6-12-20(18)19/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide?
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 435.57 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 43959817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).