(2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C16H23N3OS2 — CID 95136752

IUPAC(2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN(Cc3csc(C(C)(C)C)n3)CCO2)n1
InChIInChI=1S/C16H23N3OS2/c1-11-9-21-14(17-11)13-8-19(5-6-20-13)7-12-10-22-15(18-12)16(2,3)4/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKeyLBYQFYZDUZYIIH-ZDUSSCGKSA-N
MW337.51 g/mol
LogP3.78
Rot. Bonds3

About (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

(2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 95136752) has the molecular formula C16H23N3OS2 and a molecular weight of 337.51 g/mol. Its IUPAC name is (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID95136752
Molecular FormulaC16H23N3OS2
Molecular Weight337.51 g/mol
Exact Mass337.13
IUPAC Name(2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN(Cc3csc(C(C)(C)C)n3)CCO2)n1
InChIInChI=1S/C16H23N3OS2/c1-11-9-21-14(17-11)13-8-19(5-6-20-13)7-12-10-22-15(18-12)16(2,3)4/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKeyLBYQFYZDUZYIIH-ZDUSSCGKSA-N
XLogP3.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 95136752) is (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc([C@@H]2CN(Cc3csc(C(C)(C)C)n3)CCO2)n1.
What is the InChIKey of (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is LBYQFYZDUZYIIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3OS2/c1-11-9-21-14(17-11)13-8-19(5-6-20-13)7-12-10-22-15(18-12)16(2,3)4/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
(2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 337.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 95136752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).