N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C22H15N3O2S2 — CID 46692032

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H15N3O2S2/c26-20(11-17-13-29-22(24-17)15-9-10-28-12-15)23-16-7-5-14(6-8-16)21-25-18-3-1-2-4-19(18)27-21/h1-10,12-13H,11H2,(H,23,26)
InChIKeyPLQPKZYHOPFORC-UHFFFAOYSA-N
MW417.52 g/mol
LogP5.86
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 46692032) has the molecular formula C22H15N3O2S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID46692032
Molecular FormulaC22H15N3O2S2
Molecular Weight417.52 g/mol
Exact Mass417.06
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H15N3O2S2/c26-20(11-17-13-29-22(24-17)15-9-10-28-12-15)23-16-7-5-14(6-8-16)21-25-18-3-1-2-4-19(18)27-21/h1-10,12-13H,11H2,(H,23,26)
InChIKeyPLQPKZYHOPFORC-UHFFFAOYSA-N
XLogP5.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55960719
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CID 8926939
2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 41107745
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26958590
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 1331218
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 47776659
N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 46692032) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PLQPKZYHOPFORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S2/c26-20(11-17-13-29-22(24-17)15-9-10-28-12-15)23-16-7-5-14(6-8-16)21-25-18-3-1-2-4-19(18)27-21/h1-10,12-13H,11H2,(H,23,26).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 417.52 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46692032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).