3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol

C11H18N2O2S — CID 106100749

IUPAC3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol
SMILESCc1ncsc1CCNCC1(O)CCOC1
InChIInChI=1S/C11H18N2O2S/c1-9-10(16-8-13-9)2-4-12-6-11(14)3-5-15-7-11/h8,12,14H,2-7H2,1H3
InChIKeyAGKCZPQQUVSLDC-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.74
Rot. Bonds5

About 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol

3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 106100749) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID106100749
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol
SMILESCc1ncsc1CCNCC1(O)CCOC1
InChIInChI=1S/C11H18N2O2S/c1-9-10(16-8-13-9)2-4-12-6-11(14)3-5-15-7-11/h8,12,14H,2-7H2,1H3
InChIKeyAGKCZPQQUVSLDC-UHFFFAOYSA-N
XLogP0.74
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.74
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

3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine
CID 65020383
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine
CID 116643984
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
CID 112641806

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol (CID 106100749) is 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol is Cc1ncsc1CCNCC1(O)CCOC1.
What is the InChIKey of 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is AGKCZPQQUVSLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9-10(16-8-13-9)2-4-12-6-11(14)3-5-15-7-11/h8,12,14H,2-7H2,1H3.
What are the key properties of 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol?
3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 242.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).