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

C14H24N4O2S — CID 116663187

IUPAC[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2sc(NCCOC)nc2N)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-10-4-7-18(8-5-10)13(19)11-12(15)17-14(21-11)16-6-9-20-2/h10H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyDJCWYVACLOJVBZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.05
Rot. Bonds6

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

[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone (PubChem CID 116663187) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone
PubChem CID116663187
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2sc(NCCOC)nc2N)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-10-4-7-18(8-5-10)13(19)11-12(15)17-14(21-11)16-6-9-20-2/h10H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyDJCWYVACLOJVBZ-UHFFFAOYSA-N
XLogP2.05
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone (CID 116663187) is [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2sc(NCCOC)nc2N)CC1.
What is the InChIKey of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is DJCWYVACLOJVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-10-4-7-18(8-5-10)13(19)11-12(15)17-14(21-11)16-6-9-20-2/h10H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone?
[4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 312.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-methoxyethylamino)-1,3-thiazol-5-yl]-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 116663187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).