N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide

C20H17N3OS — CID 46948319

IUPACN-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide
SMILESCC(=O)NC(C)(c1ccccc1)c1nc(-c2cccc(C#N)c2)cs1
InChIInChI=1S/C20H17N3OS/c1-14(24)23-20(2,17-9-4-3-5-10-17)19-22-18(13-25-19)16-8-6-7-15(11-16)12-21/h3-11,13H,1-2H3,(H,23,24)
InChIKeyVPHZANKNFOEQFK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.08
Rot. Bonds4

About N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide

N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide (PubChem CID 46948319) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide
PubChem CID46948319
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide
SMILESCC(=O)NC(C)(c1ccccc1)c1nc(-c2cccc(C#N)c2)cs1
InChIInChI=1S/C20H17N3OS/c1-14(24)23-20(2,17-9-4-3-5-10-17)19-22-18(13-25-19)16-8-6-7-15(11-16)12-21/h3-11,13H,1-2H3,(H,23,24)
InChIKeyVPHZANKNFOEQFK-UHFFFAOYSA-N
XLogP4.08
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide?
The IUPAC name of N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide (CID 46948319) is N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide.
What is the SMILES notation for N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide?
The canonical SMILES for N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide is CC(=O)NC(C)(c1ccccc1)c1nc(-c2cccc(C#N)c2)cs1.
What is the InChIKey of N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide?
The InChIKey is VPHZANKNFOEQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14(24)23-20(2,17-9-4-3-5-10-17)19-22-18(13-25-19)16-8-6-7-15(11-16)12-21/h3-11,13H,1-2H3,(H,23,24).
What are the key properties of N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide?
N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide is sourced from PubChem (CID 46948319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).