N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide

C12H8FN3OS — CID 90603616

IUPACN-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESN#Cc1cnc(NC(=O)Cc2ccc(F)cc2)s1
InChIInChI=1S/C12H8FN3OS/c13-9-3-1-8(2-4-9)5-11(17)16-12-15-7-10(6-14)18-12/h1-4,7H,5H2,(H,15,16,17)
InChIKeyLOANHFDTUUCSKT-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.34
Rot. Bonds3

About N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide

N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 90603616) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID90603616
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESN#Cc1cnc(NC(=O)Cc2ccc(F)cc2)s1
InChIInChI=1S/C12H8FN3OS/c13-9-3-1-8(2-4-9)5-11(17)16-12-15-7-10(6-14)18-12/h1-4,7H,5H2,(H,15,16,17)
InChIKeyLOANHFDTUUCSKT-UHFFFAOYSA-N
XLogP2.34
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 90603505
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea
CID 90603725
1-tert-butyl-3-(5-cyano-1,3-thiazol-2-yl)urea
CID 90603690
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
CID 90603571
N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 85472605

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide (CID 90603616) is N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide is N#Cc1cnc(NC(=O)Cc2ccc(F)cc2)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is LOANHFDTUUCSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c13-9-3-1-8(2-4-9)5-11(17)16-12-15-7-10(6-14)18-12/h1-4,7H,5H2,(H,15,16,17).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide?
N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 90603616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).