N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide

C9H17N3O2S2 — CID 106338122

IUPACN-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(CC)cs1
InChIInChI=1S/C9H17N3O2S2/c1-3-8-7-15-9(12-8)10-5-6-16(13,14)11-4-2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyHTGAEYPMOXFUNE-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.06
Rot. Bonds7

About N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide

N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide (PubChem CID 106338122) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide
PubChem CID106338122
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC NameN-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(CC)cs1
InChIInChI=1S/C9H17N3O2S2/c1-3-8-7-15-9(12-8)10-5-6-16(13,14)11-4-2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyHTGAEYPMOXFUNE-UHFFFAOYSA-N
XLogP1.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343023
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 62962639
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine
CID 115691846
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide
CID 106338129
4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115681727
4-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 62961909
N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
CID 103858115
4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine
CID 103749995

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide (CID 106338122) is N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1nc(CC)cs1.
What is the InChIKey of N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide?
The InChIKey is HTGAEYPMOXFUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-3-8-7-15-9(12-8)10-5-6-16(13,14)11-4-2/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide?
N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide has a molecular weight of 263.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106338122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).