5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

C13H8F3N5O4S2 — CID 174190463

IUPAC5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1cn[nH]c1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H8F3N5O4S2/c14-13(15,16)6-1-2-7(17-3-6)9-8(4-19-20-9)27(24,25)21-11-10(12(22)23)18-5-26-11/h1-5,21H,(H,19,20)(H,22,23)
InChIKeyLDXUVAQXCIKWCX-UHFFFAOYSA-N
MW419.37 g/mol
LogP2.45
Rot. Bonds5

About 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 174190463) has the molecular formula C13H8F3N5O4S2 and a molecular weight of 419.37 g/mol. Its IUPAC name is 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID174190463
Molecular FormulaC13H8F3N5O4S2
Molecular Weight419.37 g/mol
Exact Mass419.00
IUPAC Name5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1cn[nH]c1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H8F3N5O4S2/c14-13(15,16)6-1-2-7(17-3-6)9-8(4-19-20-9)27(24,25)21-11-10(12(22)23)18-5-26-11/h1-5,21H,(H,19,20)(H,22,23)
InChIKeyLDXUVAQXCIKWCX-UHFFFAOYSA-N
XLogP2.45
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567415
5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567094
5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 157431483
N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 155009376
5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104617669
5-benzamido-1,3-thiazole-4-carboxylic acid
CID 69246207
5-[[4-[3-[(2-amino-2-iminoethyl)amino]-2-oxopropyl]-3-fluorophenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 161415854
5-[[4-[(2-amino-2-iminoethyl)carbamoylamino]-3-fluorophenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 137422185
5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine
CID 114908388
5-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
CID 83810706
5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 174190463) is 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1cn[nH]c1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LDXUVAQXCIKWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O4S2/c14-13(15,16)6-1-2-7(17-3-6)9-8(4-19-20-9)27(24,25)21-11-10(12(22)23)18-5-26-11/h1-5,21H,(H,19,20)(H,22,23).
What are the key properties of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 419.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 174190463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).