(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol

C18H26N2O2S — CID 75455984

IUPAC(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
SMILESCC[C@@H](CO)N(Cc1ccccc1)Cc1csc(C(C)OC)n1
InChIInChI=1S/C18H26N2O2S/c1-4-17(12-21)20(10-15-8-6-5-7-9-15)11-16-13-23-18(19-16)14(2)22-3/h5-9,13-14,17,21H,4,10-12H2,1-3H3/t14?,17-/m0/s1
InChIKeyCFBZNWYCGZQAIU-JRZJBTRGSA-N
MW334.49 g/mol
LogP3.62
Rot. Bonds9

About (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol

(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol (PubChem CID 75455984) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
PubChem CID75455984
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
SMILESCC[C@@H](CO)N(Cc1ccccc1)Cc1csc(C(C)OC)n1
InChIInChI=1S/C18H26N2O2S/c1-4-17(12-21)20(10-15-8-6-5-7-9-15)11-16-13-23-18(19-16)14(2)22-3/h5-9,13-14,17,21H,4,10-12H2,1-3H3/t14?,17-/m0/s1
InChIKeyCFBZNWYCGZQAIU-JRZJBTRGSA-N
XLogP3.62
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol with MolForge

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Related Compounds

4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
3-[2-(diethylamino)-3-phenylpropyl]-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 109457059
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 96529611
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 66390376
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133337753
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine
CID 109455970
3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
2-(3-anilinopropyl)-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456626
3-(2-benzylsulfinylethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine
CID 109456358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol?
The IUPAC name of (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol (CID 75455984) is (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol?
The canonical SMILES for (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol is CC[C@@H](CO)N(Cc1ccccc1)Cc1csc(C(C)OC)n1.
What is the InChIKey of (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol?
The InChIKey is CFBZNWYCGZQAIU-JRZJBTRGSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-4-17(12-21)20(10-15-8-6-5-7-9-15)11-16-13-23-18(19-16)14(2)22-3/h5-9,13-14,17,21H,4,10-12H2,1-3H3/t14?,17-/m0/s1.
What are the key properties of (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol?
(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol has a molecular weight of 334.49 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol is sourced from PubChem (CID 75455984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).