N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide

C19H24N6O3S — CID 43997938

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCOc1cccc2sc(N(CCN3CCOCC3)C(=O)Cn3cncn3)nc12
InChIInChI=1S/C19H24N6O3S/c1-2-28-15-4-3-5-16-18(15)22-19(29-16)25(7-6-23-8-10-27-11-9-23)17(26)12-24-14-20-13-21-24/h3-5,13-14H,2,6-12H2,1H3
InChIKeyCMHRJWGEPOYUEW-UHFFFAOYSA-N
MW416.51 g/mol
LogP1.65
Rot. Bonds8

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43997938) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43997938
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCOc1cccc2sc(N(CCN3CCOCC3)C(=O)Cn3cncn3)nc12
InChIInChI=1S/C19H24N6O3S/c1-2-28-15-4-3-5-16-18(15)22-19(29-16)25(7-6-23-8-10-27-11-9-23)17(26)12-24-14-20-13-21-24/h3-5,13-14H,2,6-12H2,1H3
InChIKeyCMHRJWGEPOYUEW-UHFFFAOYSA-N
XLogP1.65
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137601
4-acetyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137573
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 29137614
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
CID 44932961
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583075
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide
CID 43997942
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137576
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615556
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29069434
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 29137594
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 18581651
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069223

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 43997938) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide is CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)Cn3cncn3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is CMHRJWGEPOYUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-2-28-15-4-3-5-16-18(15)22-19(29-16)25(7-6-23-8-10-27-11-9-23)17(26)12-24-14-20-13-21-24/h3-5,13-14H,2,6-12H2,1H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 416.51 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43997938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).