2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol

C8H14N2OS — CID 60982756

IUPAC2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESCCc1ncc(CNCCO)s1
InChIInChI=1S/C8H14N2OS/c1-2-8-10-6-7(12-8)5-9-3-4-11/h6,9,11H,2-5H2,1H3
InChIKeyDWRYELKMIKBVFQ-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.79
Rot. Bonds5

About 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol

2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 60982756) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
PubChem CID60982756
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESCCc1ncc(CNCCO)s1
InChIInChI=1S/C8H14N2OS/c1-2-8-10-6-7(12-8)5-9-3-4-11/h6,9,11H,2-5H2,1H3
InChIKeyDWRYELKMIKBVFQ-UHFFFAOYSA-N
XLogP0.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
CID 107267939
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127045
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine
CID 54883723
1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65107863
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 54883121

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol (CID 60982756) is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol is CCc1ncc(CNCCO)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol?
The InChIKey is DWRYELKMIKBVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-8-10-6-7(12-8)5-9-3-4-11/h6,9,11H,2-5H2,1H3.
What are the key properties of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol?
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 186.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 60982756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).