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

C11H18N2O2S — CID 61193117

IUPAC4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
SMILESCc1nc(C)c(C(C)NC2COCC2O)s1
InChIInChI=1S/C11H18N2O2S/c1-6-11(16-8(3)12-6)7(2)13-9-4-15-5-10(9)14/h7,9-10,13-14H,4-5H2,1-3H3
InChIKeyVIAYSECGCGRGRE-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.17
Rot. Bonds3

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

4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol (PubChem CID 61193117) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
PubChem CID61193117
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
SMILESCc1nc(C)c(C(C)NC2COCC2O)s1
InChIInChI=1S/C11H18N2O2S/c1-6-11(16-8(3)12-6)7(2)13-9-4-15-5-10(9)14/h7,9-10,13-14H,4-5H2,1-3H3
InChIKeyVIAYSECGCGRGRE-UHFFFAOYSA-N
XLogP1.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
CID 115923399
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258317
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 63752266
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
CID 81355689
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115711165
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 63752764
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121342
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 61192868
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61192512

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol?
The IUPAC name of 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol (CID 61193117) is 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol.
What is the SMILES notation for 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol?
The canonical SMILES for 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol is Cc1nc(C)c(C(C)NC2COCC2O)s1.
What is the InChIKey of 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol?
The InChIKey is VIAYSECGCGRGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6-11(16-8(3)12-6)7(2)13-9-4-15-5-10(9)14/h7,9-10,13-14H,4-5H2,1-3H3.
What are the key properties of 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol?
4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol has a molecular weight of 242.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol is sourced from PubChem (CID 61193117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).