(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

C13H16ClN3O2S — CID 120917220

IUPAC(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1nc2ccccc2s1.Cl
InChIInChI=1S/C13H15N3O2S.ClH/c1-8-11(14-6-7-18-8)12(17)16-13-15-9-4-2-3-5-10(9)19-13;/h2-5,8,11,14H,6-7H2,1H3,(H,15,16,17);1H/t8-,11+;/m1./s1
InChIKeyXAGNENLQAQLCLI-NINOIYOQSA-N
MW313.81 g/mol
LogP2.03
Rot. Bonds2

About (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120917220) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120917220
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1nc2ccccc2s1.Cl
InChIInChI=1S/C13H15N3O2S.ClH/c1-8-11(14-6-7-18-8)12(17)16-13-15-9-4-2-3-5-10(9)19-13;/h2-5,8,11,14H,6-7H2,1H3,(H,15,16,17);1H/t8-,11+;/m1./s1
InChIKeyXAGNENLQAQLCLI-NINOIYOQSA-N
XLogP2.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919401
(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 120923900
(2R,3S)-N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931572
(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936021
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
(2R,3S)-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120921499
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929298
N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114427950

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120917220) is (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1nc2ccccc2s1.Cl.
What is the InChIKey of (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is XAGNENLQAQLCLI-NINOIYOQSA-N. The full InChI is InChI=1S/C13H15N3O2S.ClH/c1-8-11(14-6-7-18-8)12(17)16-13-15-9-4-2-3-5-10(9)19-13;/h2-5,8,11,14H,6-7H2,1H3,(H,15,16,17);1H/t8-,11+;/m1./s1.
What are the key properties of (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 313.81 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120917220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).