2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride

C8H16Cl2N2OS — CID 73012450

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride
SMILESCl.Cl.NCCc1nc2c(s1)CCC2.O
InChIInChI=1S/C8H12N2S.2ClH.H2O/c9-5-4-8-10-6-2-1-3-7(6)11-8;;;/h1-5,9H2;2*1H;1H2
InChIKeyCQXDHCYZACUKNI-UHFFFAOYSA-N
MW259.20 g/mol
LogP1.15
Rot. Bonds2

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride (PubChem CID 73012450) has the molecular formula C8H16Cl2N2OS and a molecular weight of 259.20 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride
PubChem CID73012450
Molecular FormulaC8H16Cl2N2OS
Molecular Weight259.20 g/mol
Exact Mass258.04
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride
SMILESCl.Cl.NCCc1nc2c(s1)CCC2.O
InChIInChI=1S/C8H12N2S.2ClH.H2O/c9-5-4-8-10-6-2-1-3-7(6)11-8;;;/h1-5,9H2;2*1H;1H2
InChIKeyCQXDHCYZACUKNI-UHFFFAOYSA-N
XLogP1.15
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride (CID 73012450) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride is Cl.Cl.NCCc1nc2c(s1)CCC2.O.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride?
The InChIKey is CQXDHCYZACUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.2ClH.H2O/c9-5-4-8-10-6-2-1-3-7(6)11-8;;;/h1-5,9H2;2*1H;1H2.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride has a molecular weight of 259.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine;hydrate;dihydrochloride is sourced from PubChem (CID 73012450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).