N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide

C19H17FN2OS — CID 90626352

IUPACN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C19H17FN2OS/c1-2-7-18(23)21-16-11-6-4-9-14(16)17-12-24-19(22-17)13-8-3-5-10-15(13)20/h3-6,8-12H,2,7H2,1H3,(H,21,23)
InChIKeyIEJPINHCMZVOIE-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.35
Rot. Bonds5

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide (PubChem CID 90626352) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
PubChem CID90626352
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C19H17FN2OS/c1-2-7-18(23)21-16-11-6-4-9-14(16)17-12-24-19(22-17)13-8-3-5-10-15(13)20/h3-6,8-12H,2,7H2,1H3,(H,21,23)
InChIKeyIEJPINHCMZVOIE-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide (CID 90626352) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide is CCCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The InChIKey is IEJPINHCMZVOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-2-7-18(23)21-16-11-6-4-9-14(16)17-12-24-19(22-17)13-8-3-5-10-15(13)20/h3-6,8-12H,2,7H2,1H3,(H,21,23).
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide has a molecular weight of 340.42 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 90626352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).