(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

C14H18ClN3O3S — CID 120919401

IUPAC(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1cccc2sc(NC(=O)[C@H]3NCCO[C@@H]3C)nc12.Cl
InChIInChI=1S/C14H17N3O3S.ClH/c1-8-11(15-6-7-20-8)13(18)17-14-16-12-9(19-2)4-3-5-10(12)21-14;/h3-5,8,11,15H,6-7H2,1-2H3,(H,16,17,18);1H/t8-,11+;/m1./s1
InChIKeyRWNRCYNGQYQHJS-NINOIYOQSA-N
MW343.84 g/mol
LogP2.04
Rot. Bonds3

About (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120919401) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120919401
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1cccc2sc(NC(=O)[C@H]3NCCO[C@@H]3C)nc12.Cl
InChIInChI=1S/C14H17N3O3S.ClH/c1-8-11(15-6-7-20-8)13(18)17-14-16-12-9(19-2)4-3-5-10(12)21-14;/h3-5,8,11,15H,6-7H2,1-2H3,(H,16,17,18);1H/t8-,11+;/m1./s1
InChIKeyRWNRCYNGQYQHJS-NINOIYOQSA-N
XLogP2.04
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917220
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 120923900
(2R,3S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935110
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936021
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119271378
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
(2R,3S)-N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931572

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120919401) is (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is COc1cccc2sc(NC(=O)[C@H]3NCCO[C@@H]3C)nc12.Cl.
What is the InChIKey of (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is RWNRCYNGQYQHJS-NINOIYOQSA-N. The full InChI is InChI=1S/C14H17N3O3S.ClH/c1-8-11(15-6-7-20-8)13(18)17-14-16-12-9(19-2)4-3-5-10(12)21-14;/h3-5,8,11,15H,6-7H2,1-2H3,(H,16,17,18);1H/t8-,11+;/m1./s1.
What are the key properties of (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 343.84 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120919401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).