N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide

C18H16N2OS — CID 711975

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C18H16N2OS/c21-18(15-9-5-2-6-10-15)19-12-11-17-20-16(13-22-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,21)
InChIKeyOSZMXVHBLWYJPQ-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 711975) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID711975
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C18H16N2OS/c21-18(15-9-5-2-6-10-15)19-12-11-17-20-16(13-22-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,21)
InChIKeyOSZMXVHBLWYJPQ-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 711975) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is OSZMXVHBLWYJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-18(15-9-5-2-6-10-15)19-12-11-17-20-16(13-22-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,21).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 308.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 711975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).