N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide

C18H23N3O2S — CID 95138708

IUPACN,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
SMILESCc1csc([C@@H]2CN(Cc3cccc(C(=O)N(C)C)c3)CCO2)n1
InChIInChI=1S/C18H23N3O2S/c1-13-12-24-17(19-13)16-11-21(7-8-23-16)10-14-5-4-6-15(9-14)18(22)20(2)3/h4-6,9,12,16H,7-8,10-11H2,1-3H3/t16-/m0/s1
InChIKeySDHUOIQZUQAPKT-INIZCTEOSA-N
MW345.47 g/mol
LogP2.73
Rot. Bonds4

About N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide

N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide (PubChem CID 95138708) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
PubChem CID95138708
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
SMILESCc1csc([C@@H]2CN(Cc3cccc(C(=O)N(C)C)c3)CCO2)n1
InChIInChI=1S/C18H23N3O2S/c1-13-12-24-17(19-13)16-11-21(7-8-23-16)10-14-5-4-6-15(9-14)18(22)20(2)3/h4-6,9,12,16H,7-8,10-11H2,1-3H3/t16-/m0/s1
InChIKeySDHUOIQZUQAPKT-INIZCTEOSA-N
XLogP2.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 122028920
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754
N-(furan-2-ylmethyl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95137604
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137763
3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 124969004
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide (CID 95138708) is N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide is Cc1csc([C@@H]2CN(Cc3cccc(C(=O)N(C)C)c3)CCO2)n1.
What is the InChIKey of N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide?
The InChIKey is SDHUOIQZUQAPKT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-12-24-17(19-13)16-11-21(7-8-23-16)10-14-5-4-6-15(9-14)18(22)20(2)3/h4-6,9,12,16H,7-8,10-11H2,1-3H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide?
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide has a molecular weight of 345.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide is sourced from PubChem (CID 95138708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).