N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride

C19H25ClN6O3S — CID 121046674

IUPACN-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride
SMILESCOc1ccc2sc(N(CCCN3CCOCC3)C(=O)Cn3cncn3)nc2c1.Cl
InChIInChI=1S/C19H24N6O3S.ClH/c1-27-15-3-4-17-16(11-15)22-19(29-17)25(18(26)12-24-14-20-13-21-24)6-2-5-23-7-9-28-10-8-23;/h3-4,11,13-14H,2,5-10,12H2,1H3;1H
InChIKeyFEVJGZKWUATQRY-UHFFFAOYSA-N
MW452.97 g/mol
LogP2.07
Rot. Bonds8

About N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride

N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride (PubChem CID 121046674) has the molecular formula C19H25ClN6O3S and a molecular weight of 452.97 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride
PubChem CID121046674
Molecular FormulaC19H25ClN6O3S
Molecular Weight452.97 g/mol
Exact Mass452.14
IUPAC NameN-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride
SMILESCOc1ccc2sc(N(CCCN3CCOCC3)C(=O)Cn3cncn3)nc2c1.Cl
InChIInChI=1S/C19H24N6O3S.ClH/c1-27-15-3-4-17-16(11-15)22-19(29-17)25(18(26)12-24-14-20-13-21-24)6-2-5-23-7-9-28-10-8-23;/h3-4,11,13-14H,2,5-10,12H2,1H3;1H
InChIKeyFEVJGZKWUATQRY-UHFFFAOYSA-N
XLogP2.07
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29070199
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-naphthalen-1-ylacetamide
CID 29070093
2-(4-ethoxyphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715447
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615588
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2,2-diphenylacetamide;hydrochloride
CID 44934963
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanylpropanamide
CID 29070129
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
CID 44899699
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44933146
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070132
N-(5-methoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070020
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 121046548
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-propan-2-yloxybenzamide
CID 29070107

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride (CID 121046674) is N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride is COc1ccc2sc(N(CCCN3CCOCC3)C(=O)Cn3cncn3)nc2c1.Cl.
What is the InChIKey of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride?
The InChIKey is FEVJGZKWUATQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S.ClH/c1-27-15-3-4-17-16(11-15)22-19(29-17)25(18(26)12-24-14-20-13-21-24)6-2-5-23-7-9-28-10-8-23;/h3-4,11,13-14H,2,5-10,12H2,1H3;1H.
What are the key properties of N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride?
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride has a molecular weight of 452.97 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 121046674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).