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

C16H24N6OS — CID 75369827

IUPAC2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)C(C)C1
InChIInChI=1S/C16H24N6OS/c1-11-9-21(6-7-22(11)16-17-5-8-24-16)10-14(23)18-15-12(2)19-20(4)13(15)3/h5,8,11H,6-7,9-10H2,1-4H3,(H,18,23)
InChIKeySXPRWHKENFHTPY-UHFFFAOYSA-N
MW348.48 g/mol
LogP1.64
Rot. Bonds4

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

2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 75369827) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID75369827
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)C(C)C1
InChIInChI=1S/C16H24N6OS/c1-11-9-21(6-7-22(11)16-17-5-8-24-16)10-14(23)18-15-12(2)19-20(4)13(15)3/h5,8,11H,6-7,9-10H2,1-4H3,(H,18,23)
InChIKeySXPRWHKENFHTPY-UHFFFAOYSA-N
XLogP1.64
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768413
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768407
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1258327
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylbutanamide
CID 1511627
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{methyl[1-(1,3-thiazol-2-yl)ethyl]amino}acetamide
CID 50962019
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780709
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 56781018
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 71988875
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369831
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369889
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)acetamide
CID 75373713

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 75369827) is 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)C(C)C1.
What is the InChIKey of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is SXPRWHKENFHTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-11-9-21(6-7-22(11)16-17-5-8-24-16)10-14(23)18-15-12(2)19-20(4)13(15)3/h5,8,11H,6-7,9-10H2,1-4H3,(H,18,23).
What are the key properties of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 348.48 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 75369827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).