1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol

C7H12N2O2S — CID 130571267

IUPAC1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol
SMILESCOc1nc(C(C)(O)CN)cs1
InChIInChI=1S/C7H12N2O2S/c1-7(10,4-8)5-3-12-6(9-5)11-2/h3,10H,4,8H2,1-2H3
InChIKeyNSZTYNRWGGBGDY-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.32
Rot. Bonds3

About 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol

1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 130571267) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol
PubChem CID130571267
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol
SMILESCOc1nc(C(C)(O)CN)cs1
InChIInChI=1S/C7H12N2O2S/c1-7(10,4-8)5-3-12-6(9-5)11-2/h3,10H,4,8H2,1-2H3
InChIKeyNSZTYNRWGGBGDY-UHFFFAOYSA-N
XLogP0.32
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol (CID 130571267) is 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol is COc1nc(C(C)(O)CN)cs1.
What is the InChIKey of 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is NSZTYNRWGGBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-7(10,4-8)5-3-12-6(9-5)11-2/h3,10H,4,8H2,1-2H3.
What are the key properties of 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol?
1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 188.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 130571267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).