2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

C12H22N4S — CID 42604369

IUPAC2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCCN1CCN(c2ncc(CCN)s2)CC1
InChIInChI=1S/C12H22N4S/c1-2-5-15-6-8-16(9-7-15)12-14-10-11(17-12)3-4-13/h10H,2-9,13H2,1H3
InChIKeySQRLJIKEHOKFMK-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.18
Rot. Bonds5

About 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 42604369) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID42604369
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCCN1CCN(c2ncc(CCN)s2)CC1
InChIInChI=1S/C12H22N4S/c1-2-5-15-6-8-16(9-7-15)12-14-10-11(17-12)3-4-13/h10H,2-9,13H2,1H3
InChIKeySQRLJIKEHOKFMK-UHFFFAOYSA-N
XLogP1.18
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 42604369) is 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is CCCN1CCN(c2ncc(CCN)s2)CC1.
What is the InChIKey of 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is SQRLJIKEHOKFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-2-5-15-6-8-16(9-7-15)12-14-10-11(17-12)3-4-13/h10H,2-9,13H2,1H3.
What are the key properties of 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 42604369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).