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

C6H12Cl2N2S — CID 13499357

IUPAC3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nccs1
InChIInChI=1S/C6H10N2S.2ClH/c7-3-1-2-6-8-4-5-9-6;;/h4-5H,1-3,7H2;2*1H
InChIKeyYPLYRPYZMDDMRU-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.88
Rot. Bonds3

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

3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride (PubChem CID 13499357) has the molecular formula C6H12Cl2N2S and a molecular weight of 215.15 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
PubChem CID13499357
Molecular FormulaC6H12Cl2N2S
Molecular Weight215.15 g/mol
Exact Mass214.01
IUPAC Name3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nccs1
InChIInChI=1S/C6H10N2S.2ClH/c7-3-1-2-6-8-4-5-9-6;;/h4-5H,1-3,7H2;2*1H
InChIKeyYPLYRPYZMDDMRU-UHFFFAOYSA-N
XLogP1.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride (CID 13499357) is 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The InChIKey is YPLYRPYZMDDMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.2ClH/c7-3-1-2-6-8-4-5-9-6;;/h4-5H,1-3,7H2;2*1H.
What are the key properties of 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride has a molecular weight of 215.15 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 13499357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).