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

C12H17N3O3S2 — CID 106061031

IUPAC2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H17N3O3S2/c1-7-5-14-12(19-7)15-20(16,17)11-9(3)18-8(2)10(11)6-13-4/h5,13H,6H2,1-4H3,(H,14,15)
InChIKeyPVYTWHFXQZZWLJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.18
Rot. Bonds5

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

2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide (PubChem CID 106061031) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
PubChem CID106061031
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H17N3O3S2/c1-7-5-14-12(19-7)15-20(16,17)11-9(3)18-8(2)10(11)6-13-4/h5,13H,6H2,1-4H3,(H,14,15)
InChIKeyPVYTWHFXQZZWLJ-UHFFFAOYSA-N
XLogP2.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 54922138
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065515
4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031890
6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 25038248
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106061132
4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106061084
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide
CID 60640161
2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089517
2-amino-N-(5-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 16791654
methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102747582
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 106061089

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide (CID 106061031) is 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)Nc1ncc(C)s1.
What is the InChIKey of 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide?
The InChIKey is PVYTWHFXQZZWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-7-5-14-12(19-7)15-20(16,17)11-9(3)18-8(2)10(11)6-13-4/h5,13H,6H2,1-4H3,(H,14,15).
What are the key properties of 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide?
2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106061031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).