[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone

C13H22N4O2S2 — CID 116673471

IUPAC[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2sc(NCCOC)nc2N)CCS1
InChIInChI=1S/C13H22N4O2S2/c1-3-9-8-17(5-7-20-9)12(18)10-11(14)16-13(21-10)15-4-6-19-2/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyGWWDMXPEKZPDTI-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.75
Rot. Bonds6

About [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone

[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone (PubChem CID 116673471) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone
PubChem CID116673471
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2sc(NCCOC)nc2N)CCS1
InChIInChI=1S/C13H22N4O2S2/c1-3-9-8-17(5-7-20-9)12(18)10-11(14)16-13(21-10)15-4-6-19-2/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyGWWDMXPEKZPDTI-UHFFFAOYSA-N
XLogP1.75
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone
CID 116663187
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(3-aminopyrrolidin-1-yl)methanone
CID 116665126
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 116670716
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 116663178
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 116673418
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116666572
4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-2-(2-methoxyethylamino)-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663722
4-amino-N-(3-ethoxypropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116668830

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone?
The IUPAC name of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone (CID 116673471) is [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone?
The canonical SMILES for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone is CCC1CN(C(=O)c2sc(NCCOC)nc2N)CCS1.
What is the InChIKey of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone?
The InChIKey is GWWDMXPEKZPDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-3-9-8-17(5-7-20-9)12(18)10-11(14)16-13(21-10)15-4-6-19-2/h9H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone?
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone has a molecular weight of 330.48 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(2-ethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 116673471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).