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

C14H16N2OS — CID 7119101

IUPAC3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2csc(C)n2)c1
InChIInChI=1S/C14H16N2OS/c1-10-4-3-5-12(8-10)14(17)15-7-6-13-9-18-11(2)16-13/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyOMRPKZXZBRVGHP-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.73
Rot. Bonds4

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

3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 7119101) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID7119101
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2csc(C)n2)c1
InChIInChI=1S/C14H16N2OS/c1-10-4-3-5-12(8-10)14(17)15-7-6-13-9-18-11(2)16-13/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyOMRPKZXZBRVGHP-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 7119101) is 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2csc(C)n2)c1.
What is the InChIKey of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is OMRPKZXZBRVGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-4-3-5-12(8-10)14(17)15-7-6-13-9-18-11(2)16-13/h3-5,8-9H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 260.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 7119101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).