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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Related Compounds

1-(4-amino-2,6-difluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 54993188
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80811340
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 103361842
1-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 54993621
1-(2-amino-4,5-dimethoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 83001363
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carbothioamide
CID 54998776
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 65275225
1-(2-amino-4-bromo-5-fluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 66109747
1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80811552
1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 64828925

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).