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

C16H24N6OS — CID 71988875

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCCc1cnc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)s1
InChIInChI=1S/C16H24N6OS/c1-4-13-9-17-16(24-13)22-7-5-21(6-8-22)10-14(23)18-15-11(2)19-20-12(15)3/h9H,4-8,10H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyBHQJKKLJTPIVTI-UHFFFAOYSA-N
MW348.48 g/mol
LogP1.81
Rot. Bonds5

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 71988875) 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-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID71988875
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCCc1cnc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)s1
InChIInChI=1S/C16H24N6OS/c1-4-13-9-17-16(24-13)22-7-5-21(6-8-22)10-14(23)18-15-11(2)19-20-12(15)3/h9H,4-8,10H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyBHQJKKLJTPIVTI-UHFFFAOYSA-N
XLogP1.81
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
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
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
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 38754590
2-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 35335353
(2R)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42001932
(2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42001940
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42897852
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43250121
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 43382408
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 43445144

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 71988875) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is CCc1cnc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)s1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is BHQJKKLJTPIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-4-13-9-17-16(24-13)22-7-5-21(6-8-22)10-14(23)18-15-11(2)19-20-12(15)3/h9H,4-8,10H2,1-3H3,(H,18,23)(H,19,20).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 348.48 g/mol, XLogP of 1.81, 5 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-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71988875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).