N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide

C15H18N2OS — CID 7222732

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2sc(C)nc2C)cc1
InChIInChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)15(18)16-9-8-14-11(2)17-12(3)19-14/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyKIZWVVXUEDUWHE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide (PubChem CID 7222732) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
PubChem CID7222732
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2sc(C)nc2C)cc1
InChIInChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)15(18)16-9-8-14-11(2)17-12(3)19-14/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyKIZWVVXUEDUWHE-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide (CID 7222732) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2sc(C)nc2C)cc1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide?
The InChIKey is KIZWVVXUEDUWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-6-13(7-5-10)15(18)16-9-8-14-11(2)17-12(3)19-14/h4-7H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide has a molecular weight of 274.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 7222732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).