2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol

C10H18N2O2S — CID 103992433

IUPAC2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
SMILESCc1csc(CNCCCOCCO)n1
InChIInChI=1S/C10H18N2O2S/c1-9-8-15-10(12-9)7-11-3-2-5-14-6-4-13/h8,11,13H,2-7H2,1H3
InChIKeyKFQSSTMZGMLZSM-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.94
Rot. Bonds8

About 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol

2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol (PubChem CID 103992433) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
PubChem CID103992433
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
SMILESCc1csc(CNCCCOCCO)n1
InChIInChI=1S/C10H18N2O2S/c1-9-8-15-10(12-9)7-11-3-2-5-14-6-4-13/h8,11,13H,2-7H2,1H3
InChIKeyKFQSSTMZGMLZSM-UHFFFAOYSA-N
XLogP0.94
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.94
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

methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
CID 104770025
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992617
2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
CID 103992424
N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 78992604
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673976

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol (CID 103992433) is 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol is Cc1csc(CNCCCOCCO)n1.
What is the InChIKey of 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol?
The InChIKey is KFQSSTMZGMLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-9-8-15-10(12-9)7-11-3-2-5-14-6-4-13/h8,11,13H,2-7H2,1H3.
What are the key properties of 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol?
2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol has a molecular weight of 230.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol is sourced from PubChem (CID 103992433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).