[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone

C13H22N4O2S — CID 116664218

IUPAC[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2sc(NC)nc2N)C1
InChIInChI=1S/C13H22N4O2S/c1-3-7-19-9-5-4-6-17(8-9)12(18)10-11(14)16-13(15-2)20-10/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyAYYKSDNQZLGVQC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.80
Rot. Bonds5

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

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone (PubChem CID 116664218) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone
PubChem CID116664218
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2sc(NC)nc2N)C1
InChIInChI=1S/C13H22N4O2S/c1-3-7-19-9-5-4-6-17(8-9)12(18)10-11(14)16-13(15-2)20-10/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyAYYKSDNQZLGVQC-UHFFFAOYSA-N
XLogP1.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone 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

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 116663334
1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 116667373
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102971716
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-tert-butylpyrrolidin-1-yl)methanone
CID 116672505
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 80618499
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-ethylpiperidin-1-yl)methanone
CID 116670390
[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 116670425
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 116671404
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 116662866

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone (CID 116664218) is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2sc(NC)nc2N)C1.
What is the InChIKey of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is AYYKSDNQZLGVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-7-19-9-5-4-6-17(8-9)12(18)10-11(14)16-13(15-2)20-10/h9H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone?
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 298.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 116664218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).