(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine

C13H22N2OS — CID 94066345

IUPAC(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCCCc1nc(CN2C[C@H](C)OC[C@@H]2C)cs1
InChIInChI=1S/C13H22N2OS/c1-4-5-13-14-12(9-17-13)7-15-6-11(3)16-8-10(15)2/h9-11H,4-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyZVWHHJGWZMPFHS-QWRGUYRKSA-N
MW254.40 g/mol
LogP2.70
Rot. Bonds4

About (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine

(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 94066345) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID94066345
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCCCc1nc(CN2C[C@H](C)OC[C@@H]2C)cs1
InChIInChI=1S/C13H22N2OS/c1-4-5-13-14-12(9-17-13)7-15-6-11(3)16-8-10(15)2/h9-11H,4-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyZVWHHJGWZMPFHS-QWRGUYRKSA-N
XLogP2.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine (CID 94066345) is (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine is CCCc1nc(CN2C[C@H](C)OC[C@@H]2C)cs1.
What is the InChIKey of (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is ZVWHHJGWZMPFHS-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-5-13-14-12(9-17-13)7-15-6-11(3)16-8-10(15)2/h9-11H,4-8H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine?
(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 254.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 94066345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).