1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C16H23N5OS — CID 35195764

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1csc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C16H23N5OS/c1-11-10-23-16(17-11)21-7-5-20(6-8-21)15(22)9-14-12(2)18-19(4)13(14)3/h10H,5-9H2,1-4H3
InChIKeyVABYRIWXGAERJN-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.69
Rot. Bonds3

About 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 35195764) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID35195764
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1csc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C16H23N5OS/c1-11-10-23-16(17-11)21-7-5-20(6-8-21)15(22)9-14-12(2)18-19(4)13(14)3/h10H,5-9H2,1-4H3
InChIKeyVABYRIWXGAERJN-UHFFFAOYSA-N
XLogP1.69
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24581304
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
2-[1-(4,5-Dimethyl-1,3-thiazol-2-YL)-3,5-dimethyl-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)ethan-1-one
CID 53003389
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779791
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 56780570
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70779660
2-[3,5-Dimethyl-1-(4-methyl-1,3-thiazol-2-YL)-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)ethan-1-one
CID 53003388
(1,5-dimethyl-1H-pyrazol-3-yl){4-[4-(morpholinomethyl)-1,3-thiazol-2-yl]piperazino}methanone
CID 53158748
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
1-(Azepan-1-YL)-2-[2-(3,5-dimethyl-1H-pyrazol-1-YL)-1,3-thiazol-4-YL]ethan-1-one
CID 46265279
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-propylacetamide
CID 46269571
N-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 72129064

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 35195764) is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1csc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is VABYRIWXGAERJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-10-23-16(17-11)21-7-5-20(6-8-21)15(22)9-14-12(2)18-19(4)13(14)3/h10H,5-9H2,1-4H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 333.46 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 35195764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).