[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol

C14H24N2O2S — CID 81212773

IUPAC[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H24N2O2S/c1-10-8-18-11(7-17)5-16(10)6-13-15-12(9-19-13)14(2,3)4/h9-11,17H,5-8H2,1-4H3
InChIKeyKSBJXPXIDFADJG-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.02
Rot. Bonds3

About [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol

[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81212773) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81212773
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H24N2O2S/c1-10-8-18-11(7-17)5-16(10)6-13-15-12(9-19-13)14(2,3)4/h9-11,17H,5-8H2,1-4H3
InChIKeyKSBJXPXIDFADJG-UHFFFAOYSA-N
XLogP2.02
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81204811
2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 81210645
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[5-methyl-4-(1,2-oxazol-5-ylmethyl)morpholin-2-yl]methanol
CID 81219706
methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate
CID 115688127
[5-methyl-4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-2-yl]methanol
CID 81213600
[5-methyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 82877604
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 81490860
1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338047
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901

Frequently Asked Questions

What is the IUPAC name of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol (CID 81212773) is [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is KSBJXPXIDFADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10-8-18-11(7-17)5-16(10)6-13-15-12(9-19-13)14(2,3)4/h9-11,17H,5-8H2,1-4H3.
What are the key properties of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 284.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81212773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).