3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide

C17H16N2OS2 — CID 17488570

IUPAC3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1
InChIInChI=1S/C17H16N2OS2/c1-11-4-3-5-13(8-11)17(20)18-9-14-6-7-16(22-14)15-10-21-12(2)19-15/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyGLDHCGYOGZRACJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.42
Rot. Bonds4

About 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide

3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide (PubChem CID 17488570) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
PubChem CID17488570
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1
InChIInChI=1S/C17H16N2OS2/c1-11-4-3-5-13(8-11)17(20)18-9-14-6-7-16(22-14)15-10-21-12(2)19-15/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyGLDHCGYOGZRACJ-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide (CID 17488570) is 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide is Cc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1.
What is the InChIKey of 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The InChIKey is GLDHCGYOGZRACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-11-4-3-5-13(8-11)17(20)18-9-14-6-7-16(22-14)15-10-21-12(2)19-15/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide has a molecular weight of 328.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 17488570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).