[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol

C13H22N2O2S — CID 79833026

IUPAC[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
SMILESCC(C)(C)c1nc(CN2CCOC(CO)C2)cs1
InChIInChI=1S/C13H22N2O2S/c1-13(2,3)12-14-10(9-18-12)6-15-4-5-17-11(7-15)8-16/h9,11,16H,4-8H2,1-3H3
InChIKeyVYBNKSALSKBHRY-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.63
Rot. Bonds3

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

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol (PubChem CID 79833026) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
PubChem CID79833026
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
SMILESCC(C)(C)c1nc(CN2CCOC(CO)C2)cs1
InChIInChI=1S/C13H22N2O2S/c1-13(2,3)12-14-10(9-18-12)6-15-4-5-17-11(7-15)8-16/h9,11,16H,4-8H2,1-3H3
InChIKeyVYBNKSALSKBHRY-UHFFFAOYSA-N
XLogP1.63
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 66435835
[4-(1,3-thiazol-4-ylmethyl)morpholin-2-yl]methanol
CID 79833284
4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-ol
CID 110931935
[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol
CID 81204885
[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62040964
[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 115824593
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-[(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95611811
[4-(thiadiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 126983215
[4-[(5-bromo-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681312
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol (CID 79833026) is [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol is CC(C)(C)c1nc(CN2CCOC(CO)C2)cs1.
What is the InChIKey of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is VYBNKSALSKBHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-13(2,3)12-14-10(9-18-12)6-15-4-5-17-11(7-15)8-16/h9,11,16H,4-8H2,1-3H3.
What are the key properties of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol?
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 79833026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).