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

C18H18N2OS2 — CID 7694174

IUPAC3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2csc(-c3cccs3)n2)cc1C
InChIInChI=1S/C18H18N2OS2/c1-12-5-6-14(10-13(12)2)17(21)19-8-7-15-11-23-18(20-15)16-4-3-9-22-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyLLGCZMZPBQEAHF-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.46
Rot. Bonds5

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

3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 7694174) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID7694174
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2csc(-c3cccs3)n2)cc1C
InChIInChI=1S/C18H18N2OS2/c1-12-5-6-14(10-13(12)2)17(21)19-8-7-15-11-23-18(20-15)16-4-3-9-22-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyLLGCZMZPBQEAHF-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694033
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
4-hydroxy-N-[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzamide
CID 60517349
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317283
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
3-methyl-4-nitro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7163672

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 7694174) is 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2csc(-c3cccs3)n2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is LLGCZMZPBQEAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-12-5-6-14(10-13(12)2)17(21)19-8-7-15-11-23-18(20-15)16-4-3-9-22-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide?
3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 342.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 7694174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).