1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol

C10H18N2O2S — CID 79819687

IUPAC1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCOCCNCC(C)(O)Cc1nccs1
InChIInChI=1S/C10H18N2O2S/c1-10(13,8-11-3-5-14-2)7-9-12-4-6-15-9/h4,6,11,13H,3,5,7-8H2,1-2H3
InChIKeyKBJVYHCIHCLCKN-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.67
Rot. Bonds7

About 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol

1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79819687) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID79819687
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCOCCNCC(C)(O)Cc1nccs1
InChIInChI=1S/C10H18N2O2S/c1-10(13,8-11-3-5-14-2)7-9-12-4-6-15-9/h4,6,11,13H,3,5,7-8H2,1-2H3
InChIKeyKBJVYHCIHCLCKN-UHFFFAOYSA-N
XLogP0.67
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79820463
1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66038264
1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037529
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol
CID 81148071
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 112570185
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858712
1-(2-methoxyethylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66038263

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol (CID 79819687) is 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol is COCCNCC(C)(O)Cc1nccs1.
What is the InChIKey of 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is KBJVYHCIHCLCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(13,8-11-3-5-14-2)7-9-12-4-6-15-9/h4,6,11,13H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol?
1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 230.33 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79819687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).