N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide

C16H11ClFN3OS — CID 51065363

IUPACN-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
SMILESNc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H11ClFN3OS/c17-11-5-1-10(2-6-11)14(22)21-15-13(20-16(19)23-15)9-3-7-12(18)8-4-9/h1-8H,(H2,19,20)(H,21,22)
InChIKeyGWWDZCRHKZNJJV-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.44
Rot. Bonds3

About N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide

N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide (PubChem CID 51065363) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
PubChem CID51065363
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC NameN-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
SMILESNc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H11ClFN3OS/c17-11-5-1-10(2-6-11)14(22)21-15-13(20-16(19)23-15)9-3-7-12(18)8-4-9/h1-8H,(H2,19,20)(H,21,22)
InChIKeyGWWDZCRHKZNJJV-UHFFFAOYSA-N
XLogP4.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 35673976
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
CID 27315818
[2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone
CID 90468022
4-chloro-N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 15497678
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide
CID 154811060
N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 91680533
[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 87075128
4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide
CID 17285013
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide?
The IUPAC name of N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide (CID 51065363) is N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide?
The canonical SMILES for N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide is Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide?
The InChIKey is GWWDZCRHKZNJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c17-11-5-1-10(2-6-11)14(22)21-15-13(20-16(19)23-15)9-3-7-12(18)8-4-9/h1-8H,(H2,19,20)(H,21,22).
What are the key properties of N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide?
N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide has a molecular weight of 347.80 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide is sourced from PubChem (CID 51065363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).