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

C15H21N3OS2 — CID 95138502

IUPAC(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCc1csc([C@@H]2CN(Cc3csc(C(C)C)n3)CCO2)n1
InChIInChI=1S/C15H21N3OS2/c1-10(2)14-17-12(9-21-14)6-18-4-5-19-13(7-18)15-16-11(3)8-20-15/h8-10,13H,4-7H2,1-3H3/t13-/m0/s1
InChIKeySOMWLWOPCAGJDO-ZDUSSCGKSA-N
MW323.49 g/mol
LogP3.60
Rot. Bonds4

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

(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 95138502) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID95138502
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCc1csc([C@@H]2CN(Cc3csc(C(C)C)n3)CCO2)n1
InChIInChI=1S/C15H21N3OS2/c1-10(2)14-17-12(9-21-14)6-18-4-5-19-13(7-18)15-16-11(3)8-20-15/h8-10,13H,4-7H2,1-3H3/t13-/m0/s1
InChIKeySOMWLWOPCAGJDO-ZDUSSCGKSA-N
XLogP3.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 95138502) is (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine is Cc1csc([C@@H]2CN(Cc3csc(C(C)C)n3)CCO2)n1.
What is the InChIKey of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is SOMWLWOPCAGJDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-10(2)14-17-12(9-21-14)6-18-4-5-19-13(7-18)15-16-11(3)8-20-15/h8-10,13H,4-7H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 323.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 95138502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).