N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide

C7H7N3O2S2 — CID 140744167

IUPACN-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc[nH]1)c1cscn1
InChIInChI=1S/C7H7N3O2S2/c11-14(12,7-4-13-5-9-7)10-6-2-1-3-8-6/h1-5,8,10H
InChIKeyPBGBGZMNLYAQOR-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.27
Rot. Bonds3

About N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide

N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide (PubChem CID 140744167) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide
PubChem CID140744167
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC NameN-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc[nH]1)c1cscn1
InChIInChI=1S/C7H7N3O2S2/c11-14(12,7-4-13-5-9-7)10-6-2-1-3-8-6/h1-5,8,10H
InChIKeyPBGBGZMNLYAQOR-UHFFFAOYSA-N
XLogP1.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(1H-pyrrol-2-yl)thiophene-2-sulfonamide
CID 132507890
3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 90112516
N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide
CID 118077980
4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 141340071
2-Pyrrol-1-yl-1,3-thiazole-5-sulfonamide
CID 154393579
1-(1,3-Thiazol-2-yl)pyrrole-3-sulfonamide
CID 171619515
1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
CID 5065710
Pyrrol-2-yl-1,3-thiazol-2-yldiazene
CID 135679332
2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
CID 137013294

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide (CID 140744167) is N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide is O=S(=O)(Nc1ccc[nH]1)c1cscn1.
What is the InChIKey of N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide?
The InChIKey is PBGBGZMNLYAQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c11-14(12,7-4-13-5-9-7)10-6-2-1-3-8-6/h1-5,8,10H.
What are the key properties of N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide?
N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide has a molecular weight of 229.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 140744167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).