N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine

C14H26N4S — CID 63265394

IUPACN-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCCc1nc(CN(C)CCN2CCNCC2)cs1
InChIInChI=1S/C14H26N4S/c1-3-4-14-16-13(12-19-14)11-17(2)9-10-18-7-5-15-6-8-18/h12,15H,3-11H2,1-2H3
InChIKeyCFIOAHLHMNHFBQ-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.43
Rot. Bonds7

About N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine

N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 63265394) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID63265394
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCCc1nc(CN(C)CCN2CCNCC2)cs1
InChIInChI=1S/C14H26N4S/c1-3-4-14-16-13(12-19-14)11-17(2)9-10-18-7-5-15-6-8-18/h12,15H,3-11H2,1-2H3
InChIKeyCFIOAHLHMNHFBQ-UHFFFAOYSA-N
XLogP1.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 63265394) is N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine is CCCc1nc(CN(C)CCN2CCNCC2)cs1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is CFIOAHLHMNHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-3-4-14-16-13(12-19-14)11-17(2)9-10-18-7-5-15-6-8-18/h12,15H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 282.46 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 63265394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).