2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide

C13H13N3O3S2 — CID 51106873

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
SMILESCC(Nc1ncc(S(N)(=O)=O)s1)c1cc2ccccc2o1
InChIInChI=1S/C13H13N3O3S2/c1-8(11-6-9-4-2-3-5-10(9)19-11)16-13-15-7-12(20-13)21(14,17)18/h2-8H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyUEOSJBKTQHCLOK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide

2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 51106873) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
PubChem CID51106873
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
SMILESCC(Nc1ncc(S(N)(=O)=O)s1)c1cc2ccccc2o1
InChIInChI=1S/C13H13N3O3S2/c1-8(11-6-9-4-2-3-5-10(9)19-11)16-13-15-7-12(20-13)21(14,17)18/h2-8H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyUEOSJBKTQHCLOK-UHFFFAOYSA-N
XLogP2.71
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260962
2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide
CID 131020862
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215
3-N-[1-(1-benzofuran-2-yl)ethyl]benzene-1,3-disulfonamide
CID 86916872
N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
CID 43683127
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
N-[1-(1-benzofuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 46827983
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
CID 78911568
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide (CID 51106873) is 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide is CC(Nc1ncc(S(N)(=O)=O)s1)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is UEOSJBKTQHCLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c1-8(11-6-9-4-2-3-5-10(9)19-11)16-13-15-7-12(20-13)21(14,17)18/h2-8H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 323.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 51106873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).