4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one

C10H13N3O2S — CID 47101126

IUPAC4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESCc1nc(CC(=O)N2CCNC(=O)C2)cs1
InChIInChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)4-10(15)13-3-2-11-9(14)5-13/h6H,2-5H2,1H3,(H,11,14)
InChIKeyUCNGSJNESGWNFD-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.05
Rot. Bonds2

About 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one

4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one (PubChem CID 47101126) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
PubChem CID47101126
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESCc1nc(CC(=O)N2CCNC(=O)C2)cs1
InChIInChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)4-10(15)13-3-2-11-9(14)5-13/h6H,2-5H2,1H3,(H,11,14)
InChIKeyUCNGSJNESGWNFD-UHFFFAOYSA-N
XLogP-0.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one (CID 47101126) is 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one is Cc1nc(CC(=O)N2CCNC(=O)C2)cs1.
What is the InChIKey of 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The InChIKey is UCNGSJNESGWNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)4-10(15)13-3-2-11-9(14)5-13/h6H,2-5H2,1H3,(H,11,14).
What are the key properties of 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one has a molecular weight of 239.30 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 47101126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).