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

C15H18F3N5OS — CID 66956401

IUPAC1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(N)cs2)CC1
InChIInChI=1S/C15H18F3N5OS/c1-9-6-11(15(16,17)18)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-12(19)8-25-14/h6,8,10H,2-5,7,19H2,1H3
InChIKeyQYPQSUDKFVJPMP-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.66
Rot. Bonds3

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

1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 66956401) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID66956401
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC Name1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(N)cs2)CC1
InChIInChI=1S/C15H18F3N5OS/c1-9-6-11(15(16,17)18)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-12(19)8-25-14/h6,8,10H,2-5,7,19H2,1H3
InChIKeyQYPQSUDKFVJPMP-UHFFFAOYSA-N
XLogP2.66
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-{1-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-thiazole-4-carboxylic acid hydroxyamide
CID 86703091
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
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91793812
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
2-[3,5-Bis(difluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 44469052
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 44469054
1-[4-[4-(2-Methylbutyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57742219
1-[4-(4-Acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethanone
CID 58242734
1-[3-(4-Acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58242747
1-[4-(4-Ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 59140460
N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2,6-dioxocyclohexane-1-carboxamide
CID 60142417

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 66956401) is 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-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)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(N)cs2)CC1.
What is the InChIKey of 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is QYPQSUDKFVJPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-9-6-11(15(16,17)18)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-12(19)8-25-14/h6,8,10H,2-5,7,19H2,1H3.
What are the key properties of 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 373.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 66956401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).