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

C18H14ClFN2OS — CID 43836519

IUPACN-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN2OS/c1-11-16(10-12-2-6-14(19)7-3-12)24-18(21-11)22-17(23)13-4-8-15(20)9-5-13/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyMLSZHGKSPPSNRX-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.09
Rot. Bonds4

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

N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 43836519) has the molecular formula C18H14ClFN2OS and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID43836519
Molecular FormulaC18H14ClFN2OS
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN2OS/c1-11-16(10-12-2-6-14(19)7-3-12)24-18(21-11)22-17(23)13-4-8-15(20)9-5-13/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyMLSZHGKSPPSNRX-UHFFFAOYSA-N
XLogP5.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 43837208
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
4-chloro-N-[4-methyl-5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836533
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836440
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzamide;hydrobromide
CID 141313772

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 43836519) is N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide is Cc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is MLSZHGKSPPSNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2OS/c1-11-16(10-12-2-6-14(19)7-3-12)24-18(21-11)22-17(23)13-4-8-15(20)9-5-13/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide?
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 360.84 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 43836519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).