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

C16H14N2OS2 — CID 46944056

IUPACN-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2cccs2)cs1
InChIInChI=1S/C16H14N2OS2/c1-11(19)17-15(12-6-3-2-4-7-12)16-18-13(10-21-16)14-8-5-9-20-14/h2-10,15H,1H3,(H,17,19)
InChIKeyDNTALDNEMNLLCO-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.10
Rot. Bonds4

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

N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 46944056) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID46944056
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2cccs2)cs1
InChIInChI=1S/C16H14N2OS2/c1-11(19)17-15(12-6-3-2-4-7-12)16-18-13(10-21-16)14-8-5-9-20-14/h2-10,15H,1H3,(H,17,19)
InChIKeyDNTALDNEMNLLCO-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide (CID 46944056) is N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide is CC(=O)NC(c1ccccc1)c1nc(-c2cccs2)cs1.
What is the InChIKey of N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is DNTALDNEMNLLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-11(19)17-15(12-6-3-2-4-7-12)16-18-13(10-21-16)14-8-5-9-20-14/h2-10,15H,1H3,(H,17,19).
What are the key properties of N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 314.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 46944056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).