N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide

C19H13FN2OS — CID 122631402

IUPACN-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide
SMILESCc1nc(C#Cc2cccc(C(=O)Nc3ccc(F)cc3)c2)cs1
InChIInChI=1S/C19H13FN2OS/c1-13-21-18(12-24-13)8-5-14-3-2-4-15(11-14)19(23)22-17-9-6-16(20)7-10-17/h2-4,6-7,9-12H,1H3,(H,22,23)
InChIKeyNWOIVTJRHLFFFY-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.24
Rot. Bonds2

About N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide

N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide (PubChem CID 122631402) has the molecular formula C19H13FN2OS and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide
PubChem CID122631402
Molecular FormulaC19H13FN2OS
Molecular Weight336.39 g/mol
Exact Mass336.07
IUPAC NameN-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide
SMILESCc1nc(C#Cc2cccc(C(=O)Nc3ccc(F)cc3)c2)cs1
InChIInChI=1S/C19H13FN2OS/c1-13-21-18(12-24-13)8-5-14-3-2-4-15(11-14)19(23)22-17-9-6-16(20)7-10-17/h2-4,6-7,9-12H,1H3,(H,22,23)
InChIKeyNWOIVTJRHLFFFY-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylbenzamide
CID 122631598
N-(4-tert-butylphenyl)-3-(2-pyridin-2-ylethynyl)benzamide
CID 168817074
4-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18225707
3-(3-aminoprop-1-ynyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79046247
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]phenyl]methanone
CID 122631396
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
N-(4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383858
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide (CID 122631402) is N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide is Cc1nc(C#Cc2cccc(C(=O)Nc3ccc(F)cc3)c2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide?
The InChIKey is NWOIVTJRHLFFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2OS/c1-13-21-18(12-24-13)8-5-14-3-2-4-15(11-14)19(23)22-17-9-6-16(20)7-10-17/h2-4,6-7,9-12H,1H3,(H,22,23).
What are the key properties of N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide?
N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzamide is sourced from PubChem (CID 122631402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).