4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one

C11H17N3O2S — CID 60692333

IUPAC4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H17N3O2S/c1-9-8-17-11(16)14(9)7-10(15)13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3
InChIKeyMXORKSKVXATTQZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP-0.01
Rot. Bonds2

About 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one

4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one (PubChem CID 60692333) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
PubChem CID60692333
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H17N3O2S/c1-9-8-17-11(16)14(9)7-10(15)13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3
InChIKeyMXORKSKVXATTQZ-UHFFFAOYSA-N
XLogP-0.01
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858739
N-butyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866531
1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone
CID 57139851
2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
CID 57286193
1-[4-[1-[(Z)-prop-1-enyl]sulfanylethenyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 68215385
1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride
CID 173113652
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18118143
2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156855
N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18160775
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-N-propylacetamide
CID 18162789
N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 18163268
N,N-diethyl-4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-1-sulfonamide
CID 25642651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one (CID 60692333) is 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The InChIKey is MXORKSKVXATTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9-8-17-11(16)14(9)7-10(15)13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one has a molecular weight of 255.34 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 60692333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).