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

C10H16N2O2S — CID 115765976

IUPAC3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
SMILESCc1ncsc1CNCC1(O)CCOC1
InChIInChI=1S/C10H16N2O2S/c1-8-9(15-7-12-8)4-11-5-10(13)2-3-14-6-10/h7,11,13H,2-6H2,1H3
InChIKeyGKIZHKMKFFIDAR-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.69
Rot. Bonds4

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

3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 115765976) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
PubChem CID115765976
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
SMILESCc1ncsc1CNCC1(O)CCOC1
InChIInChI=1S/C10H16N2O2S/c1-8-9(15-7-12-8)4-11-5-10(13)2-3-14-6-10/h7,11,13H,2-6H2,1H3
InChIKeyGKIZHKMKFFIDAR-UHFFFAOYSA-N
XLogP0.69
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol
CID 106100749
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115453865
3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 115765948
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115684518
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 107267251
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 114143438
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 103848413

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol (CID 115765976) is 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol is Cc1ncsc1CNCC1(O)CCOC1.
What is the InChIKey of 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is GKIZHKMKFFIDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-9(15-7-12-8)4-11-5-10(13)2-3-14-6-10/h7,11,13H,2-6H2,1H3.
What are the key properties of 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol?
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 228.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 115765976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).