5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide

C11H15N3O3S2 — CID 106039792

IUPAC5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide
SMILESCc1nc(CCNCc2ccc(S(N)(=O)=O)o2)cs1
InChIInChI=1S/C11H15N3O3S2/c1-8-14-9(7-18-8)4-5-13-6-10-2-3-11(17-10)19(12,15)16/h2-3,7,13H,4-6H2,1H3,(H2,12,15,16)
InChIKeyVKPXDTCSZNNGEQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.02
Rot. Bonds6

About 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide

5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide (PubChem CID 106039792) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide
PubChem CID106039792
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide
SMILESCc1nc(CCNCc2ccc(S(N)(=O)=O)o2)cs1
InChIInChI=1S/C11H15N3O3S2/c1-8-14-9(7-18-8)4-5-13-6-10-2-3-11(17-10)19(12,15)16/h2-3,7,13H,4-6H2,1H3,(H2,12,15,16)
InChIKeyVKPXDTCSZNNGEQ-UHFFFAOYSA-N
XLogP1.02
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 106044942
5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 106370676
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
CID 130905513
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide
CID 106045206
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
2-bromo-5-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]furan-3-sulfonamide
CID 106044022
5-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 106052573

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide (CID 106039792) is 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide is Cc1nc(CCNCc2ccc(S(N)(=O)=O)o2)cs1.
What is the InChIKey of 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide?
The InChIKey is VKPXDTCSZNNGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-8-14-9(7-18-8)4-5-13-6-10-2-3-11(17-10)19(12,15)16/h2-3,7,13H,4-6H2,1H3,(H2,12,15,16).
What are the key properties of 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide?
5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 106039792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).