1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol

C8H15N3O2S — CID 103361844

IUPAC1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cc(N)ns1
InChIInChI=1S/C8H15N3O2S/c1-11(4-6(12)5-13-2)8-3-7(9)10-14-8/h3,6,12H,4-5H2,1-2H3,(H2,9,10)
InChIKeyOIORDGDORNQZNR-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.17
Rot. Bonds5

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

1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 103361844) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID103361844
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cc(N)ns1
InChIInChI=1S/C8H15N3O2S/c1-11(4-6(12)5-13-2)8-3-7(9)10-14-8/h3,6,12H,4-5H2,1-2H3,(H2,9,10)
InChIKeyOIORDGDORNQZNR-UHFFFAOYSA-N
XLogP0.17
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol (CID 103361844) is 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1cc(N)ns1.
What is the InChIKey of 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is OIORDGDORNQZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-11(4-6(12)5-13-2)8-3-7(9)10-14-8/h3,6,12H,4-5H2,1-2H3,(H2,9,10).
What are the key properties of 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 217.29 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103361844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).