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

C18H23ClN2O2S — CID 86896581

IUPACN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide
SMILESCCOC(CC)C(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C18H23ClN2O2S/c1-5-15(23-6-2)17(22)20-11(3)16-12(4)21-18(24-16)13-7-9-14(19)10-8-13/h7-11,15H,5-6H2,1-4H3,(H,20,22)
InChIKeyHBYVRHBNYWRMPP-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.76
Rot. Bonds7

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

N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide (PubChem CID 86896581) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide
PubChem CID86896581
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide
SMILESCCOC(CC)C(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C18H23ClN2O2S/c1-5-15(23-6-2)17(22)20-11(3)16-12(4)21-18(24-16)13-7-9-14(19)10-8-13/h7-11,15H,5-6H2,1-4H3,(H,20,22)
InChIKeyHBYVRHBNYWRMPP-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide (CID 86896581) is N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide is CCOC(CC)C(=O)NC(C)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide?
The InChIKey is HBYVRHBNYWRMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-5-15(23-6-2)17(22)20-11(3)16-12(4)21-18(24-16)13-7-9-14(19)10-8-13/h7-11,15H,5-6H2,1-4H3,(H,20,22).
What are the key properties of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide?
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide has a molecular weight of 366.91 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxybutanamide is sourced from PubChem (CID 86896581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).