4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol

C9H15N3O2S — CID 102768812

IUPAC4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol
SMILESNc1cnc(NCC2(O)CCOCC2)s1
InChIInChI=1S/C9H15N3O2S/c10-7-5-11-8(15-7)12-6-9(13)1-3-14-4-2-9/h5,13H,1-4,6,10H2,(H,11,12)
InChIKeyMLUMDRPEOJLAFK-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.68
Rot. Bonds3

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

4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol (PubChem CID 102768812) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol
PubChem CID102768812
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol
SMILESNc1cnc(NCC2(O)CCOCC2)s1
InChIInChI=1S/C9H15N3O2S/c10-7-5-11-8(15-7)12-6-9(13)1-3-14-4-2-9/h5,13H,1-4,6,10H2,(H,11,12)
InChIKeyMLUMDRPEOJLAFK-UHFFFAOYSA-N
XLogP0.68
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol
CID 106747935
4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 103329216
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133329795
4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
CID 81134784
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
4-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxan-4-ol
CID 81130479
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81132046

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol (CID 102768812) is 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol is Nc1cnc(NCC2(O)CCOCC2)s1.
What is the InChIKey of 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol?
The InChIKey is MLUMDRPEOJLAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-7-5-11-8(15-7)12-6-9(13)1-3-14-4-2-9/h5,13H,1-4,6,10H2,(H,11,12).
What are the key properties of 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol?
4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol has a molecular weight of 229.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 102768812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).