(3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine

C10H16N2OS — CID 70954998

IUPAC(3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine
SMILESCCc1csc(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C10H16N2OS/c1-3-9-7-14-10(11-9)12-4-5-13-6-8(12)2/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeySYURSTJIDWSXOM-QMMMGPOBSA-N
MW212.32 g/mol
LogP1.93
Rot. Bonds2

About (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine

(3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine (PubChem CID 70954998) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine
PubChem CID70954998
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine
SMILESCCc1csc(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C10H16N2OS/c1-3-9-7-14-10(11-9)12-4-5-13-6-8(12)2/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeySYURSTJIDWSXOM-QMMMGPOBSA-N
XLogP1.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine (CID 70954998) is (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine is CCc1csc(N2CCOC[C@@H]2C)n1.
What is the InChIKey of (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine?
The InChIKey is SYURSTJIDWSXOM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-9-7-14-10(11-9)12-4-5-13-6-8(12)2/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine?
(3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine has a molecular weight of 212.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-ethyl-1,3-thiazol-2-yl)-3-methylmorpholine is sourced from PubChem (CID 70954998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).