2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide

C7H7N3O2S2 — CID 154393579

IUPAC2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(-n2cccc2)s1
InChIInChI=1S/C7H7N3O2S2/c8-14(11,12)6-5-9-7(13-6)10-3-1-2-4-10/h1-5H,(H2,8,11,12)
InChIKeyGEEFBZIFVUTSLO-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.58
Rot. Bonds2

About 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide

2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide (PubChem CID 154393579) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide
PubChem CID154393579
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(-n2cccc2)s1
InChIInChI=1S/C7H7N3O2S2/c8-14(11,12)6-5-9-7(13-6)10-3-1-2-4-10/h1-5H,(H2,8,11,12)
InChIKeyGEEFBZIFVUTSLO-UHFFFAOYSA-N
XLogP0.58
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 298680
N-butyl-N-(1-methylpyrrol-2-yl)thiophene-2-sulfonamide
CID 132507887
5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
4-Pyrrol-1-yl-1,3-thiazole
CID 118078297
N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide
CID 140744167
2-(2-Methylsulfanylpyrrol-1-yl)-1,3-thiazole
CID 166959186
1-(1,3-Thiazol-2-yl)pyrrole-3-sulfonamide
CID 171619515
5-Bromo-2-(1H-Pyrrol-1-yl)thiazole
CID 45787850
2-Amino-4-(1H-pyrrol-1-yl)thiazole
CID 66520235
4-Amino-2-(1H-pyrrol-1-yl)thiazole
CID 66520585
5-Amino-2-(1H-pyrrol-1-yl)thiazole
CID 66520589
2-chloro-N-(2-pyrrol-1-ylethyl)-1,3-thiazole-5-sulfonamide
CID 106390747

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide (CID 154393579) is 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(-n2cccc2)s1.
What is the InChIKey of 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is GEEFBZIFVUTSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c8-14(11,12)6-5-9-7(13-6)10-3-1-2-4-10/h1-5H,(H2,8,11,12).
What are the key properties of 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide?
2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 229.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 154393579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).