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

C15H22N6OS — CID 75369831

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(c3nccs3)C(C)C2)n(C)n1
InChIInChI=1S/C15H22N6OS/c1-11-8-13(19(3)18-11)17-14(22)10-20-5-6-21(12(2)9-20)15-16-4-7-23-15/h4,7-8,12H,5-6,9-10H2,1-3H3,(H,17,22)
InChIKeyCVOMSNCTAKUJQA-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.33
Rot. Bonds4

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

N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 75369831) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID75369831
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(c3nccs3)C(C)C2)n(C)n1
InChIInChI=1S/C15H22N6OS/c1-11-8-13(19(3)18-11)17-14(22)10-20-5-6-21(12(2)9-20)15-16-4-7-23-15/h4,7-8,12H,5-6,9-10H2,1-3H3,(H,17,22)
InChIKeyCVOMSNCTAKUJQA-UHFFFAOYSA-N
XLogP1.33
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 75369831) is N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(c3nccs3)C(C)C2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is CVOMSNCTAKUJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-11-8-13(19(3)18-11)17-14(22)10-20-5-6-21(12(2)9-20)15-16-4-7-23-15/h4,7-8,12H,5-6,9-10H2,1-3H3,(H,17,22).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 334.45 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75369831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).