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

C13H13FN2OS — CID 121122551

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
SMILESCc1nc(C)c(CNC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C13H13FN2OS/c1-8-12(18-9(2)16-8)7-15-13(17)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyRBIYVJYMSYNSQL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.83
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide (PubChem CID 121122551) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
PubChem CID121122551
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
SMILESCc1nc(C)c(CNC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C13H13FN2OS/c1-8-12(18-9(2)16-8)7-15-13(17)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyRBIYVJYMSYNSQL-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
CID 75482713
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122678
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 121122821
2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide
CID 121122762
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide
CID 171908662
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 64540988
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 121122695

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide (CID 121122551) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide is Cc1nc(C)c(CNC(=O)c2cccc(F)c2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide?
The InChIKey is RBIYVJYMSYNSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-12(18-9(2)16-8)7-15-13(17)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide has a molecular weight of 264.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 121122551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).