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

C10H17N3O2S — CID 102769156

IUPAC4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ncc(N)s1
InChIInChI=1S/C10H17N3O2S/c1-13(9-12-6-8(11)16-9)7-10(14)2-4-15-5-3-10/h6,14H,2-5,7,11H2,1H3
InChIKeyOVWGNFHETURDBC-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.70
Rot. Bonds3

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

4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 102769156) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
PubChem CID102769156
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ncc(N)s1
InChIInChI=1S/C10H17N3O2S/c1-13(9-12-6-8(11)16-9)7-10(14)2-4-15-5-3-10/h6,14H,2-5,7,11H2,1H3
InChIKeyOVWGNFHETURDBC-UHFFFAOYSA-N
XLogP0.70
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[[(5-amino-1,3-thiazol-2-yl)amino]methyl]oxan-4-ol
CID 102768812
5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136999433
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
CID 114947788
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739
4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114954159
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 114950656
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol (CID 102769156) is 4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1ncc(N)s1.
What is the InChIKey of 4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is OVWGNFHETURDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13(9-12-6-8(11)16-9)7-10(14)2-4-15-5-3-10/h6,14H,2-5,7,11H2,1H3.
What are the key properties of 4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol?
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 243.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 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)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 102769156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).