1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

C14H17F3N6OS — CID 67608550

IUPAC1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(N)cs2)CC1
InChIInChI=1S/C14H17F3N6OS/c1-9-6-10(14(15,16)17)20-23(9)7-12(24)21-2-4-22(5-3-21)13-19-11(18)8-25-13/h6,8H,2-5,7,18H2,1H3
InChIKeyUXPDSLWFTPCXJJ-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.60
Rot. Bonds3

About 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 67608550) has the molecular formula C14H17F3N6OS and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID67608550
Molecular FormulaC14H17F3N6OS
Molecular Weight374.39 g/mol
Exact Mass374.11
IUPAC Name1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(N)cs2)CC1
InChIInChI=1S/C14H17F3N6OS/c1-9-6-10(14(15,16)17)20-23(9)7-12(24)21-2-4-22(5-3-21)13-19-11(18)8-25-13/h6,8H,2-5,7,18H2,1H3
InChIKeyUXPDSLWFTPCXJJ-UHFFFAOYSA-N
XLogP1.60
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 53618853
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 56780570
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
1-[4-(4-Amino-thiazol-2-yl)-piperidin-1-yl]-2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 66956401
2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate
CID 164667807
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
4-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)thiomorpholine
CID 118773027
4-methyl-1-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,2,3,6-tetrahydropyridine
CID 119063578
N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide
CID 164636597
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 67608550) is 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(N)cs2)CC1.
What is the InChIKey of 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is UXPDSLWFTPCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6OS/c1-9-6-10(14(15,16)17)20-23(9)7-12(24)21-2-4-22(5-3-21)13-19-11(18)8-25-13/h6,8H,2-5,7,18H2,1H3.
What are the key properties of 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 374.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 67608550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).