N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide

C21H21FN2OS — CID 46943812

IUPACN-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2cccc(C(C)C)c2)cs1
InChIInChI=1S/C21H21FN2OS/c1-13(2)15-6-4-7-16(10-15)19-12-26-21(24-19)20(23-14(3)25)17-8-5-9-18(22)11-17/h4-13,20H,1-3H3,(H,23,25)
InChIKeyIZVQEDSMQVUHMF-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.30
Rot. Bonds5

About N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide

N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46943812) has the molecular formula C21H21FN2OS and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46943812
Molecular FormulaC21H21FN2OS
Molecular Weight368.48 g/mol
Exact Mass368.14
IUPAC NameN-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2cccc(C(C)C)c2)cs1
InChIInChI=1S/C21H21FN2OS/c1-13(2)15-6-4-7-16(10-15)19-12-26-21(24-19)20(23-14(3)25)17-8-5-9-18(22)11-17/h4-13,20H,1-3H3,(H,23,25)
InChIKeyIZVQEDSMQVUHMF-UHFFFAOYSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide 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-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 46943812) is N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide is CC(=O)NC(c1cccc(F)c1)c1nc(-c2cccc(C(C)C)c2)cs1.
What is the InChIKey of N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is IZVQEDSMQVUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2OS/c1-13(2)15-6-4-7-16(10-15)19-12-26-21(24-19)20(23-14(3)25)17-8-5-9-18(22)11-17/h4-13,20H,1-3H3,(H,23,25).
What are the key properties of N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46943812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).