N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride

C16H22Cl2N4O3S — CID 119833487

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CNCCO1
InChIInChI=1S/C16H20N4O3S.2ClH/c21-15(13-10-17-3-6-23-13)18-11-1-2-12-14(9-11)24-16(19-12)20-4-7-22-8-5-20;;/h1-2,9,13,17H,3-8,10H2,(H,18,21);2*1H
InChIKeyZLZFBXSVAPYKIJ-UHFFFAOYSA-N
MW421.35 g/mol
LogP1.90
Rot. Bonds3

About N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride (PubChem CID 119833487) has the molecular formula C16H22Cl2N4O3S and a molecular weight of 421.35 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
PubChem CID119833487
Molecular FormulaC16H22Cl2N4O3S
Molecular Weight421.35 g/mol
Exact Mass420.08
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CNCCO1
InChIInChI=1S/C16H20N4O3S.2ClH/c21-15(13-10-17-3-6-23-13)18-11-1-2-12-14(9-11)24-16(19-12)20-4-7-22-8-5-20;;/h1-2,9,13,17H,3-8,10H2,(H,18,21);2*1H
InChIKeyZLZFBXSVAPYKIJ-UHFFFAOYSA-N
XLogP1.90
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide
CID 119839215
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
CID 119839152
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
(2S,5R)-5-(aminomethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797130
(1R,2R,4S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98291832
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833449
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940783
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride (CID 119833487) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CNCCO1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride?
The InChIKey is ZLZFBXSVAPYKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S.2ClH/c21-15(13-10-17-3-6-23-13)18-11-1-2-12-14(9-11)24-16(19-12)20-4-7-22-8-5-20;;/h1-2,9,13,17H,3-8,10H2,(H,18,21);2*1H.
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride has a molecular weight of 421.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119833487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).