N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide

C16H12FN3OS — CID 28865020

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide
SMILESNc1nc(-c2ccc(NC(=O)c3ccccc3F)cc2)cs1
InChIInChI=1S/C16H12FN3OS/c17-13-4-2-1-3-12(13)15(21)19-11-7-5-10(6-8-11)14-9-22-16(18)20-14/h1-9H,(H2,18,20)(H,19,21)
InChIKeyPRDGJKGVUDIRDA-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.78
Rot. Bonds3

About N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide (PubChem CID 28865020) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide
PubChem CID28865020
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide
SMILESNc1nc(-c2ccc(NC(=O)c3ccccc3F)cc2)cs1
InChIInChI=1S/C16H12FN3OS/c17-13-4-2-1-3-12(13)15(21)19-11-7-5-10(6-8-11)14-9-22-16(18)20-14/h1-9H,(H2,18,20)(H,19,21)
InChIKeyPRDGJKGVUDIRDA-UHFFFAOYSA-N
XLogP3.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide
CID 28865171
2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492826
2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4034400
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533912
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 40547504
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
2-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593562
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide (CID 28865020) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide is Nc1nc(-c2ccc(NC(=O)c3ccccc3F)cc2)cs1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide?
The InChIKey is PRDGJKGVUDIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-13-4-2-1-3-12(13)15(21)19-11-7-5-10(6-8-11)14-9-22-16(18)20-14/h1-9H,(H2,18,20)(H,19,21).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide has a molecular weight of 313.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 28865020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).