2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol

C8H14N2O2S — CID 126999964

IUPAC2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol
SMILESCOc1cc(C(O)C(C)(C)N)sn1
InChIInChI=1S/C8H14N2O2S/c1-8(2,9)7(11)5-4-6(12-3)10-13-5/h4,7,11H,9H2,1-3H3
InChIKeyWALVAGXHMKVABW-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.92
Rot. Bonds3

About 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol

2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol (PubChem CID 126999964) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol
PubChem CID126999964
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol
SMILESCOc1cc(C(O)C(C)(C)N)sn1
InChIInChI=1S/C8H14N2O2S/c1-8(2,9)7(11)5-4-6(12-3)10-13-5/h4,7,11H,9H2,1-3H3
InChIKeyWALVAGXHMKVABW-UHFFFAOYSA-N
XLogP0.92
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol (CID 126999964) is 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol is COc1cc(C(O)C(C)(C)N)sn1.
What is the InChIKey of 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is WALVAGXHMKVABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-8(2,9)7(11)5-4-6(12-3)10-13-5/h4,7,11H,9H2,1-3H3.
What are the key properties of 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol?
2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol has a molecular weight of 202.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 126999964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).