N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide

C14H14F2N2OS — CID 7222725

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
SMILESCc1nc(C)c(CCNC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C14H14F2N2OS/c1-8-12(20-9(2)18-8)6-7-17-14(19)13-10(15)4-3-5-11(13)16/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyDIAUUERAIBOHBU-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide (PubChem CID 7222725) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
PubChem CID7222725
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
SMILESCc1nc(C)c(CCNC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C14H14F2N2OS/c1-8-12(20-9(2)18-8)6-7-17-14(19)13-10(15)4-3-5-11(13)16/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyDIAUUERAIBOHBU-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184650
2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119947163
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110743007
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395079
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110718363
2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119125763
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide (CID 7222725) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide is Cc1nc(C)c(CCNC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide?
The InChIKey is DIAUUERAIBOHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c1-8-12(20-9(2)18-8)6-7-17-14(19)13-10(15)4-3-5-11(13)16/h3-5H,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide has a molecular weight of 296.34 g/mol, XLogP of 3.01, 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]-2,6-difluorobenzamide is sourced from PubChem (CID 7222725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).