2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol

C8H15N3O2S — CID 103382876

IUPAC2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1snc(N)c1OC
InChIInChI=1S/C8H15N3O2S/c1-3-5(4-12)10-8-6(13-2)7(9)11-14-8/h5,10,12H,3-4H2,1-2H3,(H2,9,11)
InChIKeyQZWPUJBOHINWPB-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.92
Rot. Bonds5

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

2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol (PubChem CID 103382876) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol
PubChem CID103382876
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1snc(N)c1OC
InChIInChI=1S/C8H15N3O2S/c1-3-5(4-12)10-8-6(13-2)7(9)11-14-8/h5,10,12H,3-4H2,1-2H3,(H2,9,11)
InChIKeyQZWPUJBOHINWPB-UHFFFAOYSA-N
XLogP0.92
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol (CID 103382876) is 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol is CCC(CO)Nc1snc(N)c1OC.
What is the InChIKey of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol?
The InChIKey is QZWPUJBOHINWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-5(4-12)10-8-6(13-2)7(9)11-14-8/h5,10,12H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol?
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol has a molecular weight of 217.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 103382876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).