2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H14N4O4S2 — CID 43513574

IUPAC2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCc1cnc(NS(=O)(=O)c2c(C)nn(CC(=O)O)c2C)s1
InChIInChI=1S/C11H14N4O4S2/c1-6-4-12-11(20-6)14-21(18,19)10-7(2)13-15(8(10)3)5-9(16)17/h4H,5H2,1-3H3,(H,12,14)(H,16,17)
InChIKeyCBTPHDATUNAKPX-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.15
Rot. Bonds5

About 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43513574) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43513574
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCc1cnc(NS(=O)(=O)c2c(C)nn(CC(=O)O)c2C)s1
InChIInChI=1S/C11H14N4O4S2/c1-6-4-12-11(20-6)14-21(18,19)10-7(2)13-15(8(10)3)5-9(16)17/h4H,5H2,1-3H3,(H,12,14)(H,16,17)
InChIKeyCBTPHDATUNAKPX-UHFFFAOYSA-N
XLogP1.15
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43513574) is 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is Cc1cnc(NS(=O)(=O)c2c(C)nn(CC(=O)O)c2C)s1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is CBTPHDATUNAKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-6-4-12-11(20-6)14-21(18,19)10-7(2)13-15(8(10)3)5-9(16)17/h4H,5H2,1-3H3,(H,12,14)(H,16,17).
What are the key properties of 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 330.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43513574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).