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

C11H20N2OS — CID 107267939

IUPAC5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
SMILESCCc1ncc(CNCCCC(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-3-11-13-8-10(15-11)7-12-6-4-5-9(2)14/h8-9,12,14H,3-7H2,1-2H3
InChIKeyHQZLMVBNFNXZFE-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.96
Rot. Bonds7

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

5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol (PubChem CID 107267939) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
PubChem CID107267939
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
SMILESCCc1ncc(CNCCCC(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-3-11-13-8-10(15-11)7-12-6-4-5-9(2)14/h8-9,12,14H,3-7H2,1-2H3
InChIKeyHQZLMVBNFNXZFE-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127045
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 54883757
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
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 115684309
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylacetamide
CID 60981941
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol (CID 107267939) is 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol is CCc1ncc(CNCCCC(C)O)s1.
What is the InChIKey of 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol?
The InChIKey is HQZLMVBNFNXZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-11-13-8-10(15-11)7-12-6-4-5-9(2)14/h8-9,12,14H,3-7H2,1-2H3.
What are the key properties of 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol?
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 107267939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).