(2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride

C18H24ClN3O3S — CID 120931365

IUPAC(2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCc1sc(NC(=O)[C@H]2NCCO[C@@H]2C)nc1-c1ccc(OC)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-4-14-16(12-5-7-13(23-3)8-6-12)20-18(25-14)21-17(22)15-11(2)24-10-9-19-15;/h5-8,11,15,19H,4,9-10H2,1-3H3,(H,20,21,22);1H/t11-,15+;/m1./s1
InChIKeyLWMONBFMOSLKGR-BTAXJDQBSA-N
MW397.93 g/mol
LogP3.12
Rot. Bonds5

About (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120931365) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120931365
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name(2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCc1sc(NC(=O)[C@H]2NCCO[C@@H]2C)nc1-c1ccc(OC)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-4-14-16(12-5-7-13(23-3)8-6-12)20-18(25-14)21-17(22)15-11(2)24-10-9-19-15;/h5-8,11,15,19H,4,9-10H2,1-3H3,(H,20,21,22);1H/t11-,15+;/m1./s1
InChIKeyLWMONBFMOSLKGR-BTAXJDQBSA-N
XLogP3.12
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919401
(2S,5R)-5-(aminomethyl)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792360
(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917220
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927845
N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 46972103
(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936021
(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 120923900
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919340

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120931365) is (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride is CCc1sc(NC(=O)[C@H]2NCCO[C@@H]2C)nc1-c1ccc(OC)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is LWMONBFMOSLKGR-BTAXJDQBSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-4-14-16(12-5-7-13(23-3)8-6-12)20-18(25-14)21-17(22)15-11(2)24-10-9-19-15;/h5-8,11,15,19H,4,9-10H2,1-3H3,(H,20,21,22);1H/t11-,15+;/m1./s1.
What are the key properties of (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120931365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).