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

C16H14N2OS2 — CID 9344082

IUPACN-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C16H14N2OS2/c1-11(19)17-9-12-4-6-13(7-5-12)14-10-21-16(18-14)15-3-2-8-20-15/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyMDODCRMGLKISJY-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.17
Rot. Bonds4

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

N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide (PubChem CID 9344082) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
PubChem CID9344082
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C16H14N2OS2/c1-11(19)17-9-12-4-6-13(7-5-12)14-10-21-16(18-14)15-3-2-8-20-15/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyMDODCRMGLKISJY-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide (CID 9344082) is N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(-c3cccs3)n2)cc1.
What is the InChIKey of N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The InChIKey is MDODCRMGLKISJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-11(19)17-9-12-4-6-13(7-5-12)14-10-21-16(18-14)15-3-2-8-20-15/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide has a molecular weight of 314.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 9344082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).