5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C9H7BrN2O4S3 — CID 60784324

IUPAC5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2ncc(Br)s2)sc1C(=O)O
InChIInChI=1S/C9H7BrN2O4S3/c1-4-2-6(18-7(4)8(13)14)19(15,16)12-9-11-3-5(10)17-9/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyMIIXNVKVAFIVHF-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.77
Rot. Bonds4

About 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 60784324) has the molecular formula C9H7BrN2O4S3 and a molecular weight of 383.27 g/mol. Its IUPAC name is 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID60784324
Molecular FormulaC9H7BrN2O4S3
Molecular Weight383.27 g/mol
Exact Mass381.88
IUPAC Name5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2ncc(Br)s2)sc1C(=O)O
InChIInChI=1S/C9H7BrN2O4S3/c1-4-2-6(18-7(4)8(13)14)19(15,16)12-9-11-3-5(10)17-9/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyMIIXNVKVAFIVHF-UHFFFAOYSA-N
XLogP2.77
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 60784324) is 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2ncc(Br)s2)sc1C(=O)O.
What is the InChIKey of 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is MIIXNVKVAFIVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O4S3/c1-4-2-6(18-7(4)8(13)14)19(15,16)12-9-11-3-5(10)17-9/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 383.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 60784324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).