4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine

C11H19N3O2S3 — CID 103365542

IUPAC4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
SMILESCCC1CN(c2snc(N)c2S(=O)(=O)CC)CCS1
InChIInChI=1S/C11H19N3O2S3/c1-3-8-7-14(5-6-17-8)11-9(10(12)13-18-11)19(15,16)4-2/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyMOZASHIBDFSEFO-UHFFFAOYSA-N
MW321.49 g/mol
LogP1.85
Rot. Bonds4

About 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine

4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine (PubChem CID 103365542) has the molecular formula C11H19N3O2S3 and a molecular weight of 321.49 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
PubChem CID103365542
Molecular FormulaC11H19N3O2S3
Molecular Weight321.49 g/mol
Exact Mass321.06
IUPAC Name4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
SMILESCCC1CN(c2snc(N)c2S(=O)(=O)CC)CCS1
InChIInChI=1S/C11H19N3O2S3/c1-3-8-7-14(5-6-17-8)11-9(10(12)13-18-11)19(15,16)4-2/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyMOZASHIBDFSEFO-UHFFFAOYSA-N
XLogP1.85
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365547
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384426
5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090
4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365809
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382034
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylsulfonyl-1,2-thiazol-3-amine
CID 103364823
(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine
CID 100664431

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine (CID 103365542) is 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine is CCC1CN(c2snc(N)c2S(=O)(=O)CC)CCS1.
What is the InChIKey of 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The InChIKey is MOZASHIBDFSEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S3/c1-3-8-7-14(5-6-17-8)11-9(10(12)13-18-11)19(15,16)4-2/h8H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine has a molecular weight of 321.49 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103365542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).