N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C16H18F3N5O3S — CID 86703091

IUPACN-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)NO)cs2)CC1
InChIInChI=1S/C16H18F3N5O3S/c1-9-6-12(16(17,18)19)21-24(9)7-13(25)23-4-2-10(3-5-23)15-20-11(8-28-15)14(26)22-27/h6,8,10,27H,2-5,7H2,1H3,(H,22,26)
InChIKeyFDDLZTOHWXSOPG-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.19
Rot. Bonds4

About N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 86703091) has the molecular formula C16H18F3N5O3S and a molecular weight of 417.41 g/mol. Its IUPAC name is N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID86703091
Molecular FormulaC16H18F3N5O3S
Molecular Weight417.41 g/mol
Exact Mass417.11
IUPAC NameN-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)NO)cs2)CC1
InChIInChI=1S/C16H18F3N5O3S/c1-9-6-12(16(17,18)19)21-24(9)7-13(25)23-4-2-10(3-5-23)15-20-11(8-28-15)14(26)22-27/h6,8,10,27H,2-5,7H2,1H3,(H,22,26)
InChIKeyFDDLZTOHWXSOPG-UHFFFAOYSA-N
XLogP2.19
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-isopropyl-2-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 50962766
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 56779825
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 72044129
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
2-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-4-thiazolecarboxylic acid
CID 66601457
1-[4-(4-Amino-thiazol-2-yl)-piperidin-1-yl]-2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 66956401
5-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 124204654
3-(difluoromethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 124215056
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 44469054
2-(1-{[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 44469184

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 86703091) is N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)NO)cs2)CC1.
What is the InChIKey of N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FDDLZTOHWXSOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3S/c1-9-6-12(16(17,18)19)21-24(9)7-13(25)23-4-2-10(3-5-23)15-20-11(8-28-15)14(26)22-27/h6,8,10,27H,2-5,7H2,1H3,(H,22,26).
What are the key properties of N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86703091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).