2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide

C18H16FN3OS2 — CID 42109173

IUPAC2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESNc1sc(SCC(=O)NCc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H16FN3OS2/c19-14-8-6-12(7-9-14)10-21-15(23)11-24-18-22-16(17(20)25-18)13-4-2-1-3-5-13/h1-9H,10-11,20H2,(H,21,23)
InChIKeyYJNUAJRLBAMWLP-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.94
Rot. Bonds6

About 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 42109173) has the molecular formula C18H16FN3OS2 and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID42109173
Molecular FormulaC18H16FN3OS2
Molecular Weight373.48 g/mol
Exact Mass373.07
IUPAC Name2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESNc1sc(SCC(=O)NCc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H16FN3OS2/c19-14-8-6-12(7-9-14)10-21-15(23)11-24-18-22-16(17(20)25-18)13-4-2-1-3-5-13/h1-9H,10-11,20H2,(H,21,23)
InChIKeyYJNUAJRLBAMWLP-UHFFFAOYSA-N
XLogP3.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 42109173) is 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide is Nc1sc(SCC(=O)NCc2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YJNUAJRLBAMWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS2/c19-14-8-6-12(7-9-14)10-21-15(23)11-24-18-22-16(17(20)25-18)13-4-2-1-3-5-13/h1-9H,10-11,20H2,(H,21,23).
What are the key properties of 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 42109173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).