2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide

C19H15N3OS2 — CID 86974990

IUPAC2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide
SMILESN#Cc1ccc(CSCC(=O)Nc2cc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C19H15N3OS2/c20-11-14-6-8-15(9-7-14)12-24-13-18(23)21-19-10-17(22-25-19)16-4-2-1-3-5-16/h1-10H,12-13H2,(H,21,23)
InChIKeyKCYXGJXTDNYTHT-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.55
Rot. Bonds6

About 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide

2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide (PubChem CID 86974990) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide
PubChem CID86974990
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide
SMILESN#Cc1ccc(CSCC(=O)Nc2cc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C19H15N3OS2/c20-11-14-6-8-15(9-7-14)12-24-13-18(23)21-19-10-17(22-25-19)16-4-2-1-3-5-16/h1-10H,12-13H2,(H,21,23)
InChIKeyKCYXGJXTDNYTHT-UHFFFAOYSA-N
XLogP4.55
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 84554828
N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide
CID 90070616
2-[(4-cyanophenyl)methylsulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
CID 55976972
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 47045226
3-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540597
N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
CID 71864926
N-[3-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanamide
CID 55760326
methyl 2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 84560589
2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55766106
N-(3-cyanophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007041
2-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetamide
CID 55761619

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide (CID 86974990) is 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide is N#Cc1ccc(CSCC(=O)Nc2cc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide?
The InChIKey is KCYXGJXTDNYTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c20-11-14-6-8-15(9-7-14)12-24-13-18(23)21-19-10-17(22-25-19)16-4-2-1-3-5-16/h1-10H,12-13H2,(H,21,23).
What are the key properties of 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide?
2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 86974990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).