2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine

C19H25N3O2S — CID 45216938

IUPAC2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESc1ccc(CC2CN(Cc3cnc(N4CCOCC4)s3)CCO2)cc1
InChIInChI=1S/C19H25N3O2S/c1-2-4-16(5-3-1)12-17-14-21(6-11-24-17)15-18-13-20-19(25-18)22-7-9-23-10-8-22/h1-5,13,17H,6-12,14-15H2
InChIKeyXCJDOMMUCSGLAU-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.42
Rot. Bonds5

About 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine

2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 45216938) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID45216938
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESc1ccc(CC2CN(Cc3cnc(N4CCOCC4)s3)CCO2)cc1
InChIInChI=1S/C19H25N3O2S/c1-2-4-16(5-3-1)12-17-14-21(6-11-24-17)15-18-13-20-19(25-18)22-7-9-23-10-8-22/h1-5,13,17H,6-12,14-15H2
InChIKeyXCJDOMMUCSGLAU-UHFFFAOYSA-N
XLogP2.42
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 56710534
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
CID 66663131
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 155496457
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(1S,9S)-11-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 77096134
2-benzyl-4-dodecylmorpholine
CID 70634633
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine (CID 45216938) is 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine is c1ccc(CC2CN(Cc3cnc(N4CCOCC4)s3)CCO2)cc1.
What is the InChIKey of 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is XCJDOMMUCSGLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-4-16(5-3-1)12-17-14-21(6-11-24-17)15-18-13-20-19(25-18)22-7-9-23-10-8-22/h1-5,13,17H,6-12,14-15H2.
What are the key properties of 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine?
2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 359.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 45216938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).