3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol

C11H18N2O2S — CID 115765948

IUPAC3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCCc1nc(CNCC2(O)CCOC2)cs1
InChIInChI=1S/C11H18N2O2S/c1-2-10-13-9(6-16-10)5-12-7-11(14)3-4-15-8-11/h6,12,14H,2-5,7-8H2,1H3
InChIKeyDRAJQMGAEDTURV-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.95
Rot. Bonds5

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

3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 115765948) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
PubChem CID115765948
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCCc1nc(CNCC2(O)CCOC2)cs1
InChIInChI=1S/C11H18N2O2S/c1-2-10-13-9(6-16-10)5-12-7-11(14)3-4-15-8-11/h6,12,14H,2-5,7-8H2,1H3
InChIKeyDRAJQMGAEDTURV-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436720
3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 114143438
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750165
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol (CID 115765948) is 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol is CCc1nc(CNCC2(O)CCOC2)cs1.
What is the InChIKey of 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is DRAJQMGAEDTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-10-13-9(6-16-10)5-12-7-11(14)3-4-15-8-11/h6,12,14H,2-5,7-8H2,1H3.
What are the key properties of 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol?
3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 242.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 115765948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).