N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide

C14H19N3O2S2 — CID 61477638

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(CNC)cc2)sc1C
InChIInChI=1S/C14H19N3O2S2/c1-4-13-10(2)20-14(16-13)17-21(18,19)12-7-5-11(6-8-12)9-15-3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeySHVUITURQYMIPQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.53
Rot. Bonds6

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 61477638) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID61477638
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(CNC)cc2)sc1C
InChIInChI=1S/C14H19N3O2S2/c1-4-13-10(2)20-14(16-13)17-21(18,19)12-7-5-11(6-8-12)9-15-3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeySHVUITURQYMIPQ-UHFFFAOYSA-N
XLogP2.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide (CID 61477638) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide is CCc1nc(NS(=O)(=O)c2ccc(CNC)cc2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is SHVUITURQYMIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-13-10(2)20-14(16-13)17-21(18,19)12-7-5-11(6-8-12)9-15-3/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 61477638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).