2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide

C19H16FN3O2S2 — CID 16899915

IUPAC2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Cc1csc(SCc2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN3O2S2/c20-13-7-5-12(6-8-13)10-26-19-22-14(11-27-19)9-17(24)23-16-4-2-1-3-15(16)18(21)25/h1-8,11H,9-10H2,(H2,21,25)(H,23,24)
InChIKeyKXSUVJQWWHZWDC-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.85
Rot. Bonds7

About 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide

2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 16899915) has the molecular formula C19H16FN3O2S2 and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID16899915
Molecular FormulaC19H16FN3O2S2
Molecular Weight401.49 g/mol
Exact Mass401.07
IUPAC Name2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Cc1csc(SCc2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN3O2S2/c20-13-7-5-12(6-8-13)10-26-19-22-14(11-27-19)9-17(24)23-16-4-2-1-3-15(16)18(21)25/h1-8,11H,9-10H2,(H2,21,25)(H,23,24)
InChIKeyKXSUVJQWWHZWDC-UHFFFAOYSA-N
XLogP3.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900318
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 16900107
N-(2-ethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900321
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899798
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16899801
N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899799
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 16899810
2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 25284474
2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 16839657
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 16900558
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16899812

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 16899915) is 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)Cc1csc(SCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is KXSUVJQWWHZWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S2/c20-13-7-5-12(6-8-13)10-26-19-22-14(11-27-19)9-17(24)23-16-4-2-1-3-15(16)18(21)25/h1-8,11H,9-10H2,(H2,21,25)(H,23,24).
What are the key properties of 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 401.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 16899915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).