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

C16H24N6OS — CID 56781018

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1csc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2C)n1
InChIInChI=1S/C16H24N6OS/c1-10-9-24-16(17-10)22-6-5-21(7-11(22)2)8-14(23)18-15-12(3)19-20-13(15)4/h9,11H,5-8H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyDZBKOJCBEPGZMI-UHFFFAOYSA-N
MW348.48 g/mol
LogP1.94
Rot. Bonds4

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 56781018) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID56781018
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1csc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2C)n1
InChIInChI=1S/C16H24N6OS/c1-10-9-24-16(17-10)22-6-5-21(7-11(22)2)8-14(23)18-15-12(3)19-20-13(15)4/h9,11H,5-8H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyDZBKOJCBEPGZMI-UHFFFAOYSA-N
XLogP1.94
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Acetylamino-thiazole-4-carboxylic acid (3,5-dimethyl-1H-pyrazol-4-yl)-amide
CID 652326
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 71893485
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 71988875
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75369827
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369889
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
CID 75434350
2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide
CID 56826725
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylthiazol-2-yl)acetamide
CID 16349044
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30135143
(2R)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42001932

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of 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) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is Cc1csc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2C)n1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is DZBKOJCBEPGZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-10-9-24-16(17-10)22-6-5-21(7-11(22)2)8-14(23)18-15-12(3)19-20-13(15)4/h9,11H,5-8H2,1-4H3,(H,18,23)(H,19,20).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 348.48 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 56781018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).