(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine

C18H19N3OS2 — CID 129403672

IUPAC(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1csc([C@H]2CN(Cc3cnc(-c4ccccc4)s3)CCO2)n1
InChIInChI=1S/C18H19N3OS2/c1-13-12-23-18(20-13)16-11-21(7-8-22-16)10-15-9-19-17(24-15)14-5-3-2-4-6-14/h2-6,9,12,16H,7-8,10-11H2,1H3/t16-/m1/s1
InChIKeySZPAQSUHXPEJQJ-MRXNPFEDSA-N
MW357.50 g/mol
LogP4.15
Rot. Bonds4

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

(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 129403672) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID129403672
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1csc([C@H]2CN(Cc3cnc(-c4ccccc4)s3)CCO2)n1
InChIInChI=1S/C18H19N3OS2/c1-13-12-23-18(20-13)16-11-21(7-8-22-16)10-15-9-19-17(24-15)14-5-3-2-4-6-14/h2-6,9,12,16H,7-8,10-11H2,1H3/t16-/m1/s1
InChIKeySZPAQSUHXPEJQJ-MRXNPFEDSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 95138964
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137763
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708
2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 86772952
(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95138385
(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137834

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine (CID 129403672) is (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1csc([C@H]2CN(Cc3cnc(-c4ccccc4)s3)CCO2)n1.
What is the InChIKey of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is SZPAQSUHXPEJQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-13-12-23-18(20-13)16-11-21(7-8-22-16)10-15-9-19-17(24-15)14-5-3-2-4-6-14/h2-6,9,12,16H,7-8,10-11H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine?
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 357.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 129403672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).