3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol

C9H14N2O2S — CID 130657686

IUPAC3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol
SMILESCc1coc(NCC2(O)CCSC2)n1
InChIInChI=1S/C9H14N2O2S/c1-7-4-13-8(11-7)10-5-9(12)2-3-14-6-9/h4,12H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyKOLRYVSGMIXMBM-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.26
Rot. Bonds3

About 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol

3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol (PubChem CID 130657686) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol
PubChem CID130657686
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol
SMILESCc1coc(NCC2(O)CCSC2)n1
InChIInChI=1S/C9H14N2O2S/c1-7-4-13-8(11-7)10-5-9(12)2-3-14-6-9/h4,12H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyKOLRYVSGMIXMBM-UHFFFAOYSA-N
XLogP1.26
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol with MolForge

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Related Compounds

3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674
3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol
CID 126769914
3-[[(4-tert-butylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629681
3-[[(3,4-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629682
3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol
CID 111629696
3-[[(2,3-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629539
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 114093594
3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]thiolan-3-ol;hydroiodide
CID 120970944
(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 99833176
5-tert-butyl-N-[(3-hydroxythiolan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 111597382
3-[[[5-(4-methylphenyl)furan-2-yl]methylamino]methyl]thiolan-3-ol
CID 111629715
3-[(4-methyl-2-nitroanilino)methyl]thiolan-3-ol
CID 133389887

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol (CID 130657686) is 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol is Cc1coc(NCC2(O)CCSC2)n1.
What is the InChIKey of 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol?
The InChIKey is KOLRYVSGMIXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-4-13-8(11-7)10-5-9(12)2-3-14-6-9/h4,12H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of 3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol?
3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]thiolan-3-ol has a molecular weight of 214.29 g/mol, XLogP of 1.26, 3 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-oxazol-2-yl)amino]methyl]thiolan-3-ol is sourced from PubChem (CID 130657686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).