N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide

C17H12ClFN2OS — CID 51152768

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFN2OS/c18-13-7-4-8-14(19)15(13)16(22)21-17-20-10-12(23-17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyRCJMVEATRDADKT-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.78
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide (PubChem CID 51152768) has the molecular formula C17H12ClFN2OS and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide
PubChem CID51152768
Molecular FormulaC17H12ClFN2OS
Molecular Weight346.81 g/mol
Exact Mass346.03
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFN2OS/c18-13-7-4-8-14(19)15(13)16(22)21-17-20-10-12(23-17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyRCJMVEATRDADKT-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 2322979
N-(5-benzyl-1,3-thiazol-2-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 16562126
N-[(2S)-1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 30006621
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112812194
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
N-(5-benzyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 723009
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16580691
2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide
CID 93205844
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide (CID 51152768) is N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1c(F)cccc1Cl.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide?
The InChIKey is RCJMVEATRDADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2OS/c18-13-7-4-8-14(19)15(13)16(22)21-17-20-10-12(23-17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide has a molecular weight of 346.81 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 51152768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).