4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide

C12H17N3O3S2 — CID 106031890

IUPAC4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C12H17N3O3S2/c1-4-13-7-10-8(2)18-9(3)11(10)20(16,17)15-12-14-5-6-19-12/h5-6,13H,4,7H2,1-3H3,(H,14,15)
InChIKeyMZUBNNKYKLTKAT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.26
Rot. Bonds6

About 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide

4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide (PubChem CID 106031890) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
PubChem CID106031890
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCCNCc1c(C)oc(C)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C12H17N3O3S2/c1-4-13-7-10-8(2)18-9(3)11(10)20(16,17)15-12-14-5-6-19-12/h5-6,13H,4,7H2,1-3H3,(H,14,15)
InChIKeyMZUBNNKYKLTKAT-UHFFFAOYSA-N
XLogP2.26
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031731
2,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)furan-3-carboxylic acid
CID 43319867
2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
5-(ethylaminomethyl)-N-(1,3-thiazol-2-yl)furan-2-sulfonamide
CID 106031932
4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
CID 106028812
N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 89126853
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
4-(ethylaminomethyl)-2,5-dimethyl-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075393
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)furan-3-sulfonamide
CID 106080990
3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81428599
2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780
2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110759565

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide (CID 106031890) is 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide is CCNCc1c(C)oc(C)c1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The InChIKey is MZUBNNKYKLTKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-4-13-7-10-8(2)18-9(3)11(10)20(16,17)15-12-14-5-6-19-12/h5-6,13H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106031890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).