N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine

C15H28N4S — CID 80551072

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCc1nc(C)c(C(C)NCC(C)(C)N2CCNCC2)s1
InChIInChI=1S/C15H28N4S/c1-11(14-12(2)18-13(3)20-14)17-10-15(4,5)19-8-6-16-7-9-19/h11,16-17H,6-10H2,1-5H3
InChIKeyKDWFDTDZVYOWDU-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.09
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 80551072) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID80551072
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCc1nc(C)c(C(C)NCC(C)(C)N2CCNCC2)s1
InChIInChI=1S/C15H28N4S/c1-11(14-12(2)18-13(3)20-14)17-10-15(4,5)19-8-6-16-7-9-19/h11,16-17H,6-10H2,1-5H3
InChIKeyKDWFDTDZVYOWDU-UHFFFAOYSA-N
XLogP2.09
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine (CID 80551072) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine is Cc1nc(C)c(C(C)NCC(C)(C)N2CCNCC2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is KDWFDTDZVYOWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-11(14-12(2)18-13(3)20-14)17-10-15(4,5)19-8-6-16-7-9-19/h11,16-17H,6-10H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 80551072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).