(1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride

C6H12Cl2N2S — CID 170911662

IUPAC(1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
SMILESCC[C@@H](N)c1nccs1.Cl.Cl
InChIInChI=1S/C6H10N2S.2ClH/c1-2-5(7)6-8-3-4-9-6;;/h3-5H,2,7H2,1H3;2*1H/t5-;;/m1../s1
InChIKeyCJGWSBKZSVHWKS-ZJIMSODOSA-N
MW215.15 g/mol
LogP2.40
Rot. Bonds2

About (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride

(1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride (PubChem CID 170911662) has the molecular formula C6H12Cl2N2S and a molecular weight of 215.15 g/mol. Its IUPAC name is (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
PubChem CID170911662
Molecular FormulaC6H12Cl2N2S
Molecular Weight215.15 g/mol
Exact Mass214.01
IUPAC Name(1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
SMILESCC[C@@H](N)c1nccs1.Cl.Cl
InChIInChI=1S/C6H10N2S.2ClH/c1-2-5(7)6-8-3-4-9-6;;/h3-5H,2,7H2,1H3;2*1H/t5-;;/m1../s1
InChIKeyCJGWSBKZSVHWKS-ZJIMSODOSA-N
XLogP2.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The IUPAC name of (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride (CID 170911662) is (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride is CC[C@@H](N)c1nccs1.Cl.Cl.
What is the InChIKey of (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The InChIKey is CJGWSBKZSVHWKS-ZJIMSODOSA-N. The full InChI is InChI=1S/C6H10N2S.2ClH/c1-2-5(7)6-8-3-4-9-6;;/h3-5H,2,7H2,1H3;2*1H/t5-;;/m1../s1.
What are the key properties of (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
(1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride has a molecular weight of 215.15 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 170911662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).