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

C13H14N2OS — CID 3244736

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccccc2)cs1
InChIInChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)7-8-14-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyWPMFJMVXWJPJRK-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.42
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 3244736) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID3244736
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccccc2)cs1
InChIInChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)7-8-14-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyWPMFJMVXWJPJRK-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 3244736) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2ccccc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is WPMFJMVXWJPJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-15-12(9-17-10)7-8-14-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 246.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 3244736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).