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

C10H16N4OS — CID 23131101

IUPAC1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one
SMILESC/N=c1\scc(CN2CCNCC2=O)n1C
InChIInChI=1S/C10H16N4OS/c1-11-10-13(2)8(7-16-10)6-14-4-3-12-5-9(14)15/h7,12H,3-6H2,1-2H3/b11-10-
InChIKeyGGEDLUNNDPFQNV-KHPPLWFESA-N
MW240.33 g/mol
LogP-0.45
Rot. Bonds2

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

1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one (PubChem CID 23131101) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one
PubChem CID23131101
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one
SMILESC/N=c1\scc(CN2CCNCC2=O)n1C
InChIInChI=1S/C10H16N4OS/c1-11-10-13(2)8(7-16-10)6-14-4-3-12-5-9(14)15/h7,12H,3-6H2,1-2H3/b11-10-
InChIKeyGGEDLUNNDPFQNV-KHPPLWFESA-N
XLogP-0.45
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[4-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 68647315
Ethyl-[2-(ethylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 9433164
N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 9433165
N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9465876
2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide
CID 42914005
N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 42949651
3-Methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43090473
N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide
CID 44782676
N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide
CID 44782686
6-[[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44782688
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
CID 51171156
3-Methyl-7-[[methyl-[2-(methylamino)ethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 64081915

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one (CID 23131101) is 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one is C/N=c1\scc(CN2CCNCC2=O)n1C.
What is the InChIKey of 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The InChIKey is GGEDLUNNDPFQNV-KHPPLWFESA-N. The full InChI is InChI=1S/C10H16N4OS/c1-11-10-13(2)8(7-16-10)6-14-4-3-12-5-9(14)15/h7,12H,3-6H2,1-2H3/b11-10-.
What are the key properties of 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one?
1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one has a molecular weight of 240.33 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 23131101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).