N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C13H23N3O2S3 — CID 66383239

IUPACN-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCSCC2S(C)(=O)=O)nc1CC
InChIInChI=1S/C13H23N3O2S3/c1-4-10-11(8-14-5-2)20-13(15-10)16-6-7-19-9-12(16)21(3,17)18/h12,14H,4-9H2,1-3H3
InChIKeySQZQDDMBCYAQAW-UHFFFAOYSA-N
MW349.55 g/mol
LogP1.74
Rot. Bonds6

About N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 66383239) has the molecular formula C13H23N3O2S3 and a molecular weight of 349.55 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID66383239
Molecular FormulaC13H23N3O2S3
Molecular Weight349.55 g/mol
Exact Mass349.10
IUPAC NameN-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCSCC2S(C)(=O)=O)nc1CC
InChIInChI=1S/C13H23N3O2S3/c1-4-10-11(8-14-5-2)20-13(15-10)16-6-7-19-9-12(16)21(3,17)18/h12,14H,4-9H2,1-3H3
InChIKeySQZQDDMBCYAQAW-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66383428
N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114597327
[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79383590
2-(3-methylsulfonylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 66382076
2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 66382584
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66384396
N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 66384379
1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66384579
N-[[4-ethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63519927
N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 83221331
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767587

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 66383239) is N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCSCC2S(C)(=O)=O)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SQZQDDMBCYAQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S3/c1-4-10-11(8-14-5-2)20-13(15-10)16-6-7-19-9-12(16)21(3,17)18/h12,14H,4-9H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 349.55 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 66383239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).