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

C12H20N2OS — CID 94381346

IUPAC(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC(C)c1nc(CN2CCO[C@@H](C)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-9(2)12-13-11(8-16-12)7-14-4-5-15-10(3)6-14/h8-10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyRQYFAQXXTIAADF-JTQLQIEISA-N
MW240.37 g/mol
LogP2.49
Rot. Bonds3

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

(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 94381346) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID94381346
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC(C)c1nc(CN2CCO[C@@H](C)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-9(2)12-13-11(8-16-12)7-14-4-5-15-10(3)6-14/h8-10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyRQYFAQXXTIAADF-JTQLQIEISA-N
XLogP2.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
CID 102935921
N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 134055306
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63568492
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 55169627
methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate
CID 71970330
N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
CID 61487353
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 94381346) is (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine is CC(C)c1nc(CN2CCO[C@@H](C)C2)cs1.
What is the InChIKey of (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is RQYFAQXXTIAADF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)12-13-11(8-16-12)7-14-4-5-15-10(3)6-14/h8-10H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 240.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 94381346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).