4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one

C12H20N4OS — CID 62751583

IUPAC4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one
SMILESCCCNC(C)c1cnc(N2CCNC(=O)C2)s1
InChIInChI=1S/C12H20N4OS/c1-3-4-13-9(2)10-7-15-12(18-10)16-6-5-14-11(17)8-16/h7,9,13H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyLTVFVMOCACBYMC-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.14
Rot. Bonds5

About 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one

4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one (PubChem CID 62751583) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one
PubChem CID62751583
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one
SMILESCCCNC(C)c1cnc(N2CCNC(=O)C2)s1
InChIInChI=1S/C12H20N4OS/c1-3-4-13-9(2)10-7-15-12(18-10)16-6-5-14-11(17)8-16/h7,9,13H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyLTVFVMOCACBYMC-UHFFFAOYSA-N
XLogP1.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one?
The IUPAC name of 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one (CID 62751583) is 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one?
The canonical SMILES for 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one is CCCNC(C)c1cnc(N2CCNC(=O)C2)s1.
What is the InChIKey of 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one?
The InChIKey is LTVFVMOCACBYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-4-13-9(2)10-7-15-12(18-10)16-6-5-14-11(17)8-16/h7,9,13H,3-6,8H2,1-2H3,(H,14,17).
What are the key properties of 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one?
4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one has a molecular weight of 268.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 62751583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).