5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C14H25ClN4S — CID 120898110

IUPAC5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C14H24N4S.ClH/c15-14-16-10-13(19-14)11-17-8-4-12(5-9-17)18-6-2-1-3-7-18;/h10,12H,1-9,11H2,(H2,15,16);1H
InChIKeyDYQLTPGCEVNZOL-UHFFFAOYSA-N
MW316.90 g/mol
LogP2.60
Rot. Bonds3

About 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898110) has the molecular formula C14H25ClN4S and a molecular weight of 316.90 g/mol. Its IUPAC name is 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898110
Molecular FormulaC14H25ClN4S
Molecular Weight316.90 g/mol
Exact Mass316.15
IUPAC Name5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C14H24N4S.ClH/c15-14-16-10-13(19-14)11-17-8-4-12(5-9-17)18-6-2-1-3-7-18;/h10,12H,1-9,11H2,(H2,15,16);1H
InChIKeyDYQLTPGCEVNZOL-UHFFFAOYSA-N
XLogP2.60
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898110) is 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is DYQLTPGCEVNZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S.ClH/c15-14-16-10-13(19-14)11-17-8-4-12(5-9-17)18-6-2-1-3-7-18;/h10,12H,1-9,11H2,(H2,15,16);1H.
What are the key properties of 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).