5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride

C14H27ClN4S — CID 120906191

IUPAC5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride
SMILESCCN(CC)c1ncc(CN2CC(C)NCC2C)s1.Cl
InChIInChI=1S/C14H26N4S.ClH/c1-5-17(6-2)14-16-8-13(19-14)10-18-9-11(3)15-7-12(18)4;/h8,11-12,15H,5-7,9-10H2,1-4H3;1H
InChIKeyWMTKGHUNNXOBCF-UHFFFAOYSA-N
MW318.92 g/mol
LogP2.59
Rot. Bonds5

About 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride

5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120906191) has the molecular formula C14H27ClN4S and a molecular weight of 318.92 g/mol. Its IUPAC name is 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID120906191
Molecular FormulaC14H27ClN4S
Molecular Weight318.92 g/mol
Exact Mass318.16
IUPAC Name5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride
SMILESCCN(CC)c1ncc(CN2CC(C)NCC2C)s1.Cl
InChIInChI=1S/C14H26N4S.ClH/c1-5-17(6-2)14-16-8-13(19-14)10-18-9-11(3)15-7-12(18)4;/h8,11-12,15H,5-7,9-10H2,1-4H3;1H
InChIKeyWMTKGHUNNXOBCF-UHFFFAOYSA-N
XLogP2.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.92
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride (CID 120906191) is 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride is CCN(CC)c1ncc(CN2CC(C)NCC2C)s1.Cl.
What is the InChIKey of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is WMTKGHUNNXOBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S.ClH/c1-5-17(6-2)14-16-8-13(19-14)10-18-9-11(3)15-7-12(18)4;/h8,11-12,15H,5-7,9-10H2,1-4H3;1H.
What are the key properties of 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride?
5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 318.92 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120906191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).