2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide

C6H6N4O2S2 — CID 69132480

IUPAC2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(-c2cnc[nH]2)s1
InChIInChI=1S/C6H6N4O2S2/c7-14(11,12)5-2-9-6(13-5)4-1-8-3-10-4/h1-3H,(H,8,10)(H2,7,11,12)
InChIKeyWTWPTZYPILGKMF-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.18
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide

2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 69132480) has the molecular formula C6H6N4O2S2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide
PubChem CID69132480
Molecular FormulaC6H6N4O2S2
Molecular Weight230.27 g/mol
Exact Mass229.99
IUPAC Name2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(-c2cnc[nH]2)s1
InChIInChI=1S/C6H6N4O2S2/c7-14(11,12)5-2-9-6(13-5)4-1-8-3-10-4/h1-3H,(H,8,10)(H2,7,11,12)
InChIKeyWTWPTZYPILGKMF-UHFFFAOYSA-N
XLogP0.18
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide (CID 69132480) is 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(-c2cnc[nH]2)s1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is WTWPTZYPILGKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S2/c7-14(11,12)5-2-9-6(13-5)4-1-8-3-10-4/h1-3H,(H,8,10)(H2,7,11,12).
What are the key properties of 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide?
2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 230.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 69132480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).