1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone

C11H17N3OS — CID 110679590

IUPAC1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H17N3OS/c1-9-10(16-8-12-9)7-11(15)14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3
InChIKeyKVRRCUJEKBRMIK-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.77
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone

1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 110679590) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID110679590
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H17N3OS/c1-9-10(16-8-12-9)7-11(15)14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3
InChIKeyKVRRCUJEKBRMIK-UHFFFAOYSA-N
XLogP0.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 110679655
2-(4-methyl-1,3-oxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110679799
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 110679760
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 70704854
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 70745268
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826154
1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 136534343
1-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 138382090
N,1-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide
CID 110107450
4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 86802855

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone (CID 110679590) is 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone is Cc1ncsc1CC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is KVRRCUJEKBRMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-10(16-8-12-9)7-11(15)14-5-3-13(2)4-6-14/h8H,3-7H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone?
1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 239.34 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 110679590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).