N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C13H22N4S — CID 55113480

IUPACN-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCN1CCN(c2ncc(CNC3CC3)s2)CC1
InChIInChI=1S/C13H22N4S/c1-2-16-5-7-17(8-6-16)13-15-10-12(18-13)9-14-11-3-4-11/h10-11,14H,2-9H2,1H3
InChIKeyISLZUEQGRYNDDC-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.54
Rot. Bonds5

About N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 55113480) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID55113480
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCN1CCN(c2ncc(CNC3CC3)s2)CC1
InChIInChI=1S/C13H22N4S/c1-2-16-5-7-17(8-6-16)13-15-10-12(18-13)9-14-11-3-4-11/h10-11,14H,2-9H2,1H3
InChIKeyISLZUEQGRYNDDC-UHFFFAOYSA-N
XLogP1.54
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 55113480) is N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCN1CCN(c2ncc(CNC3CC3)s2)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is ISLZUEQGRYNDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-2-16-5-7-17(8-6-16)13-15-10-12(18-13)9-14-11-3-4-11/h10-11,14H,2-9H2,1H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 266.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55113480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).