3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride

C12H24Cl2N4OS — CID 154893874

IUPAC3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride
SMILESCl.Cl.Nc1nc(CCCNCC2(O)CCCNC2)cs1
InChIInChI=1S/C12H22N4OS.2ClH/c13-11-16-10(7-18-11)3-1-5-14-8-12(17)4-2-6-15-9-12;;/h7,14-15,17H,1-6,8-9H2,(H2,13,16);2*1H
InChIKeyWUILVSWEURBEMP-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.21
Rot. Bonds6

About 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride

3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride (PubChem CID 154893874) has the molecular formula C12H24Cl2N4OS and a molecular weight of 343.32 g/mol. Its IUPAC name is 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride
PubChem CID154893874
Molecular FormulaC12H24Cl2N4OS
Molecular Weight343.32 g/mol
Exact Mass342.10
IUPAC Name3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride
SMILESCl.Cl.Nc1nc(CCCNCC2(O)CCCNC2)cs1
InChIInChI=1S/C12H22N4OS.2ClH/c13-11-16-10(7-18-11)3-1-5-14-8-12(17)4-2-6-15-9-12;;/h7,14-15,17H,1-6,8-9H2,(H2,13,16);2*1H
InChIKeyWUILVSWEURBEMP-UHFFFAOYSA-N
XLogP1.21
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride?
The IUPAC name of 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride (CID 154893874) is 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride?
The canonical SMILES for 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride is Cl.Cl.Nc1nc(CCCNCC2(O)CCCNC2)cs1.
What is the InChIKey of 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride?
The InChIKey is WUILVSWEURBEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS.2ClH/c13-11-16-10(7-18-11)3-1-5-14-8-12(17)4-2-6-15-9-12;;/h7,14-15,17H,1-6,8-9H2,(H2,13,16);2*1H.
What are the key properties of 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride?
3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride has a molecular weight of 343.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride is sourced from PubChem (CID 154893874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).