1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione

C12H17N3O2S — CID 64966344

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1csc(CN2CC(=O)NC(C(C)C)C2=O)n1
InChIInChI=1S/C12H17N3O2S/c1-7(2)11-12(17)15(4-9(16)14-11)5-10-13-8(3)6-18-10/h6-7,11H,4-5H2,1-3H3,(H,14,16)
InChIKeyUNDIDQYJGDUWKE-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.93
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64966344) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64966344
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1csc(CN2CC(=O)NC(C(C)C)C2=O)n1
InChIInChI=1S/C12H17N3O2S/c1-7(2)11-12(17)15(4-9(16)14-11)5-10-13-8(3)6-18-10/h6-7,11H,4-5H2,1-3H3,(H,14,16)
InChIKeyUNDIDQYJGDUWKE-UHFFFAOYSA-N
XLogP0.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966356
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64973284
1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 104632279
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879368
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64970996
3-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970556
1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114702104
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64878987
3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64966359
3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione
CID 114112313
1-[(2-bromophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64881106
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 64966344) is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione is Cc1csc(CN2CC(=O)NC(C(C)C)C2=O)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UNDIDQYJGDUWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7(2)11-12(17)15(4-9(16)14-11)5-10-13-8(3)6-18-10/h6-7,11H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 267.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64966344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).