2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide

C18H16FN3OS — CID 110450485

IUPAC2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide
SMILESNCc1ccccc1-c1nc(CC(=O)Nc2ccccc2F)cs1
InChIInChI=1S/C18H16FN3OS/c19-15-7-3-4-8-16(15)22-17(23)9-13-11-24-18(21-13)14-6-2-1-5-12(14)10-20/h1-8,11H,9-10,20H2,(H,22,23)
InChIKeyPVNSAYIBRAGWGO-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.59
Rot. Bonds5

About 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide

2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 110450485) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide
PubChem CID110450485
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide
SMILESNCc1ccccc1-c1nc(CC(=O)Nc2ccccc2F)cs1
InChIInChI=1S/C18H16FN3OS/c19-15-7-3-4-8-16(15)22-17(23)9-13-11-24-18(21-13)14-6-2-1-5-12(14)10-20/h1-8,11H,9-10,20H2,(H,22,23)
InChIKeyPVNSAYIBRAGWGO-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide
CID 110450350
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110450334
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732560
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-(2-fluorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858552
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
CID 110450447

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide (CID 110450485) is 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide is NCc1ccccc1-c1nc(CC(=O)Nc2ccccc2F)cs1.
What is the InChIKey of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is PVNSAYIBRAGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-15-7-3-4-8-16(15)22-17(23)9-13-11-24-18(21-13)14-6-2-1-5-12(14)10-20/h1-8,11H,9-10,20H2,(H,22,23).
What are the key properties of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide?
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 110450485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).