2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C15H15BrF3N5O3S — CID 132554665

IUPAC2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCN(C(=O)c1n[nH]c(C(F)(F)F)c1Br)C1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C15H15BrF3N5O3S/c1-23(12(25)10-9(16)11(22-21-10)15(17,18)19)7-2-4-24(5-3-7)14-20-6-8(28-14)13(26)27/h6-7H,2-5H2,1H3,(H,21,22)(H,26,27)
InChIKeyQMGGCFVWHQEZKC-UHFFFAOYSA-N
MW482.28 g/mol
LogP3.09
Rot. Bonds4

About 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 132554665) has the molecular formula C15H15BrF3N5O3S and a molecular weight of 482.28 g/mol. Its IUPAC name is 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID132554665
Molecular FormulaC15H15BrF3N5O3S
Molecular Weight482.28 g/mol
Exact Mass481.00
IUPAC Name2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCN(C(=O)c1n[nH]c(C(F)(F)F)c1Br)C1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C15H15BrF3N5O3S/c1-23(12(25)10-9(16)11(22-21-10)15(17,18)19)7-2-4-24(5-3-7)14-20-6-8(28-14)13(26)27/h6-7H,2-5H2,1H3,(H,21,22)(H,26,27)
InChIKeyQMGGCFVWHQEZKC-UHFFFAOYSA-N
XLogP3.09
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 132554655
CID 132554655
CID 162539503
CID 162539503
CID 162539504
CID 162539504
CID 132554656
CID 132554656
CID 132554662
CID 132554662
CID 132554664
CID 132554664

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 132554665) is 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is CN(C(=O)c1n[nH]c(C(F)(F)F)c1Br)C1CCN(c2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is QMGGCFVWHQEZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF3N5O3S/c1-23(12(25)10-9(16)11(22-21-10)15(17,18)19)7-2-4-24(5-3-7)14-20-6-8(28-14)13(26)27/h6-7H,2-5H2,1H3,(H,21,22)(H,26,27).
What are the key properties of 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 482.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-methylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 132554665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).