1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol

C17H24N4O2S — CID 146664786

IUPAC1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol
SMILESCc1cc(C[C@@H]2CN(Cc3cnc(NC(C)O)s3)CCO2)ccn1
InChIInChI=1S/C17H24N4O2S/c1-12-7-14(3-4-18-12)8-15-10-21(5-6-23-15)11-16-9-19-17(24-16)20-13(2)22/h3-4,7,9,13,15,22H,5-6,8,10-11H2,1-2H3,(H,19,20)/t13?,15-/m1/s1
InChIKeyFIGSUVKYXFUWGV-AWKYBWMHSA-N
MW348.47 g/mol
LogP2.04
Rot. Bonds6

About 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol

1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol (PubChem CID 146664786) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol
PubChem CID146664786
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol
SMILESCc1cc(C[C@@H]2CN(Cc3cnc(NC(C)O)s3)CCO2)ccn1
InChIInChI=1S/C17H24N4O2S/c1-12-7-14(3-4-18-12)8-15-10-21(5-6-23-15)11-16-9-19-17(24-16)20-13(2)22/h3-4,7,9,13,15,22H,5-6,8,10-11H2,1-2H3,(H,19,20)/t13?,15-/m1/s1
InChIKeyFIGSUVKYXFUWGV-AWKYBWMHSA-N
XLogP2.04
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146628936
[4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol
CID 81213350
N-[5-[[(2R)-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629140
[4-[(2-hydrazinyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 81213030
N-[5-[[(2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 163814299
N-[5-[[(2S)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 174192801
N-[5-[[(6R)-6-[(2,6-dimethyl-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629115
2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine
CID 45216938
N-[5-[[6-[(2-methoxy-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629080
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629065

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol?
The IUPAC name of 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol (CID 146664786) is 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol.
What is the SMILES notation for 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol?
The canonical SMILES for 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol is Cc1cc(C[C@@H]2CN(Cc3cnc(NC(C)O)s3)CCO2)ccn1.
What is the InChIKey of 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol?
The InChIKey is FIGSUVKYXFUWGV-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-7-14(3-4-18-12)8-15-10-21(5-6-23-15)11-16-9-19-17(24-16)20-13(2)22/h3-4,7,9,13,15,22H,5-6,8,10-11H2,1-2H3,(H,19,20)/t13?,15-/m1/s1.
What are the key properties of 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol?
1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol has a molecular weight of 348.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[(2R)-2-[(2-methyl-4-pyridinyl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]ethanol is sourced from PubChem (CID 146664786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).