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

C21H22N4OS — CID 7577360

IUPACN-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1
InChIInChI=1S/C21H22N4OS/c1-3-24(4-2)13-14-25(20(26)17-11-9-16(15-22)10-12-17)21-23-18-7-5-6-8-19(18)27-21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyRGYOAYZMNZXWQC-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.16
Rot. Bonds7

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

N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 7577360) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide
PubChem CID7577360
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1
InChIInChI=1S/C21H22N4OS/c1-3-24(4-2)13-14-25(20(26)17-11-9-16(15-22)10-12-17)21-23-18-7-5-6-8-19(18)27-21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyRGYOAYZMNZXWQC-UHFFFAOYSA-N
XLogP4.16
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 44922735
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]naphthalene-2-carboxamide
CID 41026972
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methylsulfonylbenzamide;hydrochloride
CID 44927861
4-cyano-N-[2-(diethylamino)ethyl]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44946919
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44922718
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]quinoxaline-6-carboxamide
CID 43961766
4-cyano-N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16798981
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993650
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-fluorobenzamide
CID 7294738
4-(benzenesulfonamido)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 41003908
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3,5-dinitrobenzamide
CID 41026996
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 7294762

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide (CID 7577360) is N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is RGYOAYZMNZXWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-3-24(4-2)13-14-25(20(26)17-11-9-16(15-22)10-12-17)21-23-18-7-5-6-8-19(18)27-21/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide?
N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 378.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-cyano-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 7577360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).