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

C15H22N6OS — CID 75369889

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccs2)C(C)C1
InChIInChI=1S/C15H22N6OS/c1-10-8-20(5-6-21(10)15-16-4-7-23-15)9-13(22)17-14-11(2)18-19-12(14)3/h4,7,10H,5-6,8-9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyQDKIVNWKANUSMC-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.63
Rot. Bonds4

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 75369889) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID75369889
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccs2)C(C)C1
InChIInChI=1S/C15H22N6OS/c1-10-8-20(5-6-21(10)15-16-4-7-23-15)9-13(22)17-14-11(2)18-19-12(14)3/h4,7,10H,5-6,8-9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyQDKIVNWKANUSMC-UHFFFAOYSA-N
XLogP1.63
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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
2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75369827
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369831
N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide
CID 97516823
1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 75405901
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97004532
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 141431626
2-(4-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide
CID 56724360
2-{2-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidin-1-yl}-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 72043978

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(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-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 75369889) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(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-(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-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccs2)C(C)C1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is QDKIVNWKANUSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-10-8-20(5-6-21(10)15-16-4-7-23-15)9-13(22)17-14-11(2)18-19-12(14)3/h4,7,10H,5-6,8-9H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-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 1.63, 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-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75369889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).