N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide

C21H19ClN4O2S — CID 18583090

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C21H19ClN4O2S/c22-17-2-1-3-18-19(17)24-21(29-18)26(9-8-25-10-12-28-13-11-25)20(27)16-6-4-15(14-23)5-7-16/h1-7H,8-13H2
InChIKeyWYGWDTSRYGUEDD-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.80
Rot. Bonds5

About N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide

N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 18583090) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID18583090
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C21H19ClN4O2S/c22-17-2-1-3-18-19(17)24-21(29-18)26(9-8-25-10-12-28-13-11-25)20(27)16-6-4-15(14-23)5-7-16/h1-7H,8-13H2
InChIKeyWYGWDTSRYGUEDD-UHFFFAOYSA-N
XLogP3.80
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069502
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide
CID 29138718
N-(4-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583109
4-tert-butyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998694
4-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 16823589
2-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137634
4-(azepan-1-ylsulfonyl)-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934696
N-(4-chloro-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583107
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 44934758
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43997955
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide
CID 43997954
N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 71779946

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide (CID 18583090) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide is N#Cc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is WYGWDTSRYGUEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c22-17-2-1-3-18-19(17)24-21(29-18)26(9-8-25-10-12-28-13-11-25)20(27)16-6-4-15(14-23)5-7-16/h1-7H,8-13H2.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 426.93 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 18583090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).