2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide

C13H12ClFN2OS — CID 121122762

IUPAC2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(F)cc2Cl)s1
InChIInChI=1S/C13H12ClFN2OS/c1-7-12(19-8(2)17-7)6-16-13(18)10-4-3-9(15)5-11(10)14/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyCKQLVDACHCFKCN-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide

2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide (PubChem CID 121122762) has the molecular formula C13H12ClFN2OS and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide
PubChem CID121122762
Molecular FormulaC13H12ClFN2OS
Molecular Weight298.77 g/mol
Exact Mass298.03
IUPAC Name2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(F)cc2Cl)s1
InChIInChI=1S/C13H12ClFN2OS/c1-7-12(19-8(2)17-7)6-16-13(18)10-4-3-9(15)5-11(10)14/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyCKQLVDACHCFKCN-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546485
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-nitrobenzamide
CID 121122574
5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-nitrobenzamide
CID 121122589
2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide
CID 118794258
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
CID 121122720
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
CID 75482713
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122678

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide (CID 121122762) is 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide is Cc1nc(C)c(CNC(=O)c2ccc(F)cc2Cl)s1.
What is the InChIKey of 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide?
The InChIKey is CKQLVDACHCFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2OS/c1-7-12(19-8(2)17-7)6-16-13(18)10-4-3-9(15)5-11(10)14/h3-5H,6H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide?
2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide has a molecular weight of 298.77 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 121122762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).