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

C9H14N4OS — CID 62750903

IUPAC4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
SMILESCNCc1cnc(N2CCNC(=O)C2)s1
InChIInChI=1S/C9H14N4OS/c1-10-4-7-5-12-9(15-7)13-3-2-11-8(14)6-13/h5,10H,2-4,6H2,1H3,(H,11,14)
InChIKeySQEATAVEUNQZNQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.20
Rot. Bonds3

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

4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one (PubChem CID 62750903) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
PubChem CID62750903
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
SMILESCNCc1cnc(N2CCNC(=O)C2)s1
InChIInChI=1S/C9H14N4OS/c1-10-4-7-5-12-9(15-7)13-3-2-11-8(14)6-13/h5,10H,2-4,6H2,1H3,(H,11,14)
InChIKeySQEATAVEUNQZNQ-UHFFFAOYSA-N
XLogP-0.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The IUPAC name of 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one (CID 62750903) is 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The canonical SMILES for 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one is CNCc1cnc(N2CCNC(=O)C2)s1.
What is the InChIKey of 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The InChIKey is SQEATAVEUNQZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-10-4-7-5-12-9(15-7)13-3-2-11-8(14)6-13/h5,10H,2-4,6H2,1H3,(H,11,14).
What are the key properties of 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one has a molecular weight of 226.30 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 62750903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).