5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid

C8H9N5O4S2 — CID 113392058

IUPAC5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H9N5O4S2/c14-7(15)6-8(18-4-10-6)19(16,17)12-2-1-5-9-3-11-13-5/h3-4,12H,1-2H2,(H,14,15)(H,9,11,13)
InChIKeyFDJWZFYVRADWEE-UHFFFAOYSA-N
MW303.33 g/mol
LogP-0.52
Rot. Bonds6

About 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 113392058) has the molecular formula C8H9N5O4S2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID113392058
Molecular FormulaC8H9N5O4S2
Molecular Weight303.33 g/mol
Exact Mass303.01
IUPAC Name5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H9N5O4S2/c14-7(15)6-8(18-4-10-6)19(16,17)12-2-1-5-9-3-11-13-5/h3-4,12H,1-2H2,(H,14,15)(H,9,11,13)
InChIKeyFDJWZFYVRADWEE-UHFFFAOYSA-N
XLogP-0.52
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106168048
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
2-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 64548188
2-iodo-5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 103962550
2-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]propanoic acid
CID 64547817
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391925
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64518781
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106379571
5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104617669
2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 79579464
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 113392058) is 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1S(=O)(=O)NCCc1ncn[nH]1.
What is the InChIKey of 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FDJWZFYVRADWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O4S2/c14-7(15)6-8(18-4-10-6)19(16,17)12-2-1-5-9-3-11-13-5/h3-4,12H,1-2H2,(H,14,15)(H,9,11,13).
What are the key properties of 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 303.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113392058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).