2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride

C6H12Cl2N2OS — CID 126796872

IUPAC2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride
SMILESCl.Cl.NC(CO)Cc1cncs1
InChIInChI=1S/C6H10N2OS.2ClH/c7-5(3-9)1-6-2-8-4-10-6;;/h2,4-5,9H,1,3,7H2;2*1H
InChIKeyVUVPXNCZZJUSKU-UHFFFAOYSA-N
MW231.15 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride

2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride (PubChem CID 126796872) has the molecular formula C6H12Cl2N2OS and a molecular weight of 231.15 g/mol. Its IUPAC name is 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride
PubChem CID126796872
Molecular FormulaC6H12Cl2N2OS
Molecular Weight231.15 g/mol
Exact Mass230.00
IUPAC Name2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride
SMILESCl.Cl.NC(CO)Cc1cncs1
InChIInChI=1S/C6H10N2OS.2ClH/c7-5(3-9)1-6-2-8-4-10-6;;/h2,4-5,9H,1,3,7H2;2*1H
InChIKeyVUVPXNCZZJUSKU-UHFFFAOYSA-N
XLogP0.85
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride?
The IUPAC name of 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride (CID 126796872) is 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride.
What is the SMILES notation for 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride?
The canonical SMILES for 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride is Cl.Cl.NC(CO)Cc1cncs1.
What is the InChIKey of 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride?
The InChIKey is VUVPXNCZZJUSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS.2ClH/c7-5(3-9)1-6-2-8-4-10-6;;/h2,4-5,9H,1,3,7H2;2*1H.
What are the key properties of 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride?
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride has a molecular weight of 231.15 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;dihydrochloride is sourced from PubChem (CID 126796872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).