2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid

C7H8N2O4S2 — CID 165485403

IUPAC2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NS(=O)(=O)C2CC2)s1
InChIInChI=1S/C7H8N2O4S2/c10-6(11)5-3-8-7(14-5)9-15(12,13)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyNUCIKIMXOXMZGP-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.75
Rot. Bonds4

About 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid

2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 165485403) has the molecular formula C7H8N2O4S2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID165485403
Molecular FormulaC7H8N2O4S2
Molecular Weight248.28 g/mol
Exact Mass247.99
IUPAC Name2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NS(=O)(=O)C2CC2)s1
InChIInChI=1S/C7H8N2O4S2/c10-6(11)5-3-8-7(14-5)9-15(12,13)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyNUCIKIMXOXMZGP-UHFFFAOYSA-N
XLogP0.75
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid (CID 165485403) is 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(NS(=O)(=O)C2CC2)s1.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NUCIKIMXOXMZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S2/c10-6(11)5-3-8-7(14-5)9-15(12,13)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11).
What are the key properties of 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid?
2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 165485403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).