(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone

C15H25N3O2S — CID 129379933

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone
SMILESCCOCCN1CCN(C(=O)c2sc(C)nc2C)C[C@@H]1C
InChIInChI=1S/C15H25N3O2S/c1-5-20-9-8-17-6-7-18(10-11(17)2)15(19)14-12(3)16-13(4)21-14/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyLRJUUVTXTMWMEO-NSHDSACASA-N
MW311.45 g/mol
LogP1.94
Rot. Bonds5

About (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone (PubChem CID 129379933) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone
PubChem CID129379933
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone
SMILESCCOCCN1CCN(C(=O)c2sc(C)nc2C)C[C@@H]1C
InChIInChI=1S/C15H25N3O2S/c1-5-20-9-8-17-6-7-18(10-11(17)2)15(19)14-12(3)16-13(4)21-14/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyLRJUUVTXTMWMEO-NSHDSACASA-N
XLogP1.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone (CID 129379933) is (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone is CCOCCN1CCN(C(=O)c2sc(C)nc2C)C[C@@H]1C.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone?
The InChIKey is LRJUUVTXTMWMEO-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-20-9-8-17-6-7-18(10-11(17)2)15(19)14-12(3)16-13(4)21-14/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone has a molecular weight of 311.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 129379933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).