5-piperidin-4-yl-1,3-thiazole;dihydrochloride

C8H14Cl2N2S — CID 126810939

IUPAC5-piperidin-4-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ncc(C2CCNCC2)s1
InChIInChI=1S/C8H12N2S.2ClH/c1-3-9-4-2-7(1)8-5-10-6-11-8;;/h5-7,9H,1-4H2;2*1H
InChIKeyNQAYOJMUMZDXHB-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.45
Rot. Bonds1

About 5-piperidin-4-yl-1,3-thiazole;dihydrochloride

5-piperidin-4-yl-1,3-thiazole;dihydrochloride (PubChem CID 126810939) has the molecular formula C8H14Cl2N2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 5-piperidin-4-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name5-piperidin-4-yl-1,3-thiazole;dihydrochloride
PubChem CID126810939
Molecular FormulaC8H14Cl2N2S
Molecular Weight241.19 g/mol
Exact Mass240.03
IUPAC Name5-piperidin-4-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ncc(C2CCNCC2)s1
InChIInChI=1S/C8H12N2S.2ClH/c1-3-9-4-2-7(1)8-5-10-6-11-8;;/h5-7,9H,1-4H2;2*1H
InChIKeyNQAYOJMUMZDXHB-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-piperidin-4-yl-1,3-thiazole;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9670136, 6 N1-((trans)-2-(thiazol-5-yl)cyclopropyl)cyclohexane-1,4-diamine
CID 90395370
N-[(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropyl]piperidin-4-amine
CID 89514841
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
Methyl(1-(1,3-thiazol-5-yl)propan-2-yl)amine
CID 112642809
rac-(1R,2R)-2-(1,3-thiazol-5-yl)cyclopropan-1-amine dihydrochloride
CID 165949485
5-(Azetidin-3-yl)-1,3-thiazole dihydrochloride
CID 177800521
5-(Piperidin-4-yl)thiazole
CID 82413083
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 84770836
5-(Fluoromethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84775889
3-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 84776939
5-(Fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84783507

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 5-piperidin-4-yl-1,3-thiazole;dihydrochloride (CID 126810939) is 5-piperidin-4-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 5-piperidin-4-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 5-piperidin-4-yl-1,3-thiazole;dihydrochloride is Cl.Cl.c1ncc(C2CCNCC2)s1.
What is the InChIKey of 5-piperidin-4-yl-1,3-thiazole;dihydrochloride?
The InChIKey is NQAYOJMUMZDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.2ClH/c1-3-9-4-2-7(1)8-5-10-6-11-8;;/h5-7,9H,1-4H2;2*1H.
What are the key properties of 5-piperidin-4-yl-1,3-thiazole;dihydrochloride?
5-piperidin-4-yl-1,3-thiazole;dihydrochloride has a molecular weight of 241.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 126810939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).