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

C18H16N2OS — CID 49357165

IUPAC4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2OS/c21-18(20-11-10-17-19-12-13-22-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyABYWIJNPAAQBNT-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.78
Rot. Bonds5

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

4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 49357165) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID49357165
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2OS/c21-18(20-11-10-17-19-12-13-22-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,20,21)
InChIKeyABYWIJNPAAQBNT-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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Related Compounds

4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 78948417
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 55175820

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 49357165) is 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is ABYWIJNPAAQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-18(20-11-10-17-19-12-13-22-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,20,21).
What are the key properties of 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
4-phenyl-N-[2-(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 4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 49357165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).