5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid

C14H11FN4O4S2 — CID 167476265

IUPAC5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C14H11FN4O4S2/c1-19-11(6-10(17-19)14(20)21)18-25(22,23)12-7-16-13(24-12)8-2-4-9(15)5-3-8/h2-7,18H,1H3,(H,20,21)
InChIKeyFYMVTZIGBOKVRU-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.18
Rot. Bonds5

About 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid

5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid (PubChem CID 167476265) has the molecular formula C14H11FN4O4S2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid
PubChem CID167476265
Molecular FormulaC14H11FN4O4S2
Molecular Weight382.40 g/mol
Exact Mass382.02
IUPAC Name5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C14H11FN4O4S2/c1-19-11(6-10(17-19)14(20)21)18-25(22,23)12-7-16-13(24-12)8-2-4-9(15)5-3-8/h2-7,18H,1H3,(H,20,21)
InChIKeyFYMVTZIGBOKVRU-UHFFFAOYSA-N
XLogP2.18
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid (CID 167476265) is 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is FYMVTZIGBOKVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O4S2/c1-19-11(6-10(17-19)14(20)21)18-25(22,23)12-7-16-13(24-12)8-2-4-9(15)5-3-8/h2-7,18H,1H3,(H,20,21).
What are the key properties of 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid?
5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 382.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 167476265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).