2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide

C25H18N2O2S — CID 4038077

IUPAC2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1cccc2ccccc12)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C25H18N2O2S/c28-24(15-29-23-14-6-10-18-8-2-4-12-20(18)23)27-25-26-22(16-30-25)21-13-5-9-17-7-1-3-11-19(17)21/h1-14,16H,15H2,(H,26,27,28)
InChIKeyVHKYNOHTVRVHAS-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.13
Rot. Bonds5

About 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide

2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4038077) has the molecular formula C25H18N2O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4038077
Molecular FormulaC25H18N2O2S
Molecular Weight410.50 g/mol
Exact Mass410.11
IUPAC Name2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1cccc2ccccc12)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C25H18N2O2S/c28-24(15-29-23-14-6-10-18-8-2-4-12-20(18)23)27-25-26-22(16-30-25)21-13-5-9-17-7-1-3-11-19(17)21/h1-14,16H,15H2,(H,26,27,28)
InChIKeyVHKYNOHTVRVHAS-UHFFFAOYSA-N
XLogP6.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 7917567
2-naphthalen-1-yloxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1186312
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
N-(5-methyl-1,3-thiazol-2-yl)-2-naphthalen-1-yloxyacetamide
CID 2673025
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4117062
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 8801516

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide (CID 4038077) is 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide is O=C(COc1cccc2ccccc12)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VHKYNOHTVRVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2S/c28-24(15-29-23-14-6-10-18-8-2-4-12-20(18)23)27-25-26-22(16-30-25)21-13-5-9-17-7-1-3-11-19(17)21/h1-14,16H,15H2,(H,26,27,28).
What are the key properties of 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide?
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4038077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).