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

C22H22FN5OS — CID 43962158

IUPACN-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
SMILESCCN(CC)CCN(C(=O)c1cnc2ccccc2n1)c1nc2c(F)cccc2s1
InChIInChI=1S/C22H22FN5OS/c1-3-27(4-2)12-13-28(22-26-20-15(23)8-7-11-19(20)30-22)21(29)18-14-24-16-9-5-6-10-17(16)25-18/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyWKTQHVYTKQFPIM-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.37
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide (PubChem CID 43962158) has the molecular formula C22H22FN5OS and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
PubChem CID43962158
Molecular FormulaC22H22FN5OS
Molecular Weight423.52 g/mol
Exact Mass423.15
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
SMILESCCN(CC)CCN(C(=O)c1cnc2ccccc2n1)c1nc2c(F)cccc2s1
InChIInChI=1S/C22H22FN5OS/c1-3-27(4-2)12-13-28(22-26-20-15(23)8-7-11-19(20)30-22)21(29)18-14-24-16-9-5-6-10-17(16)25-18/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyWKTQHVYTKQFPIM-UHFFFAOYSA-N
XLogP4.37
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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)quinoxaline-6-carboxamide
CID 43962145
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
CID 43962050
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 41345648
N-[2-(diethylamino)ethyl]-3-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7511642
4-benzyl-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43959809
N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 43961888
4-bromo-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44926100
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 43959817
N-[2-(diethylamino)ethyl]-2,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43960997
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
CID 43962649
3-chloro-N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7511634

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide (CID 43962158) is N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide is CCN(CC)CCN(C(=O)c1cnc2ccccc2n1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide?
The InChIKey is WKTQHVYTKQFPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5OS/c1-3-27(4-2)12-13-28(22-26-20-15(23)8-7-11-19(20)30-22)21(29)18-14-24-16-9-5-6-10-17(16)25-18/h5-11,14H,3-4,12-13H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide?
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 43962158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).