2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C23H20N2O2S — CID 176908756

IUPAC2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3nc(-c4ccccc4)cs3)ccc2c1
InChIInChI=1S/C23H20N2O2S/c1-15(17-8-9-19-13-20(27-2)11-10-18(19)12-17)22(26)25-23-24-21(14-28-23)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25,26)
InChIKeySMKTXQCRSJVLIO-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.71
Rot. Bonds5

About 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 176908756) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID176908756
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3nc(-c4ccccc4)cs3)ccc2c1
InChIInChI=1S/C23H20N2O2S/c1-15(17-8-9-19-13-20(27-2)11-10-18(19)12-17)22(26)25-23-24-21(14-28-23)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25,26)
InChIKeySMKTXQCRSJVLIO-UHFFFAOYSA-N
XLogP5.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 176908756) is 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is COc1ccc2cc(C(C)C(=O)Nc3nc(-c4ccccc4)cs3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SMKTXQCRSJVLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15(17-8-9-19-13-20(27-2)11-10-18(19)12-17)22(26)25-23-24-21(14-28-23)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25,26).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 176908756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).