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

C22H26FN3OS — CID 46863039

IUPAC2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(F)cc2)cs/c1=N\C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26FN3OS/c1-26-19(9-20(27)24-18-4-2-17(23)3-5-18)13-28-21(26)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,13-16H,6-12H2,1H3,(H,24,27)/b25-21-
InChIKeyBVWWEGWRSFLOMX-DAFNUICNSA-N
MW399.54 g/mol
LogP4.28
Rot. Bonds4

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

2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 46863039) has the molecular formula C22H26FN3OS and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID46863039
Molecular FormulaC22H26FN3OS
Molecular Weight399.54 g/mol
Exact Mass399.18
IUPAC Name2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(F)cc2)cs/c1=N\C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26FN3OS/c1-26-19(9-20(27)24-18-4-2-17(23)3-5-18)13-28-21(26)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,13-16H,6-12H2,1H3,(H,24,27)/b25-21-
InChIKeyBVWWEGWRSFLOMX-DAFNUICNSA-N
XLogP4.28
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-2-({6-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
CID 135517183
2-[3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 44452847
N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
CID 44452882
2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 44452904
2-[2-(4-butylphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 44452905
N-(4-ethylphenyl)-2-[2-(4-hexylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
CID 44452908
N-(4-ethylphenyl)-2-[3-methyl-2-(4-phenylphenyl)imino-1,3-thiazol-4-yl]acetamide
CID 44452931
2-[2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 44452957
N-(4-butylphenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
CID 44452983
2-[2-(4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 44453096
N-(3-ethylphenyl)-2-((6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)acetamide
CID 135922210
N-[2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]ethyl]-4-fluoroaniline
CID 46862525

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide (CID 46863039) is 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide is Cn1c(CC(=O)Nc2ccc(F)cc2)cs/c1=N\C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is BVWWEGWRSFLOMX-DAFNUICNSA-N. The full InChI is InChI=1S/C22H26FN3OS/c1-26-19(9-20(27)24-18-4-2-17(23)3-5-18)13-28-21(26)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,13-16H,6-12H2,1H3,(H,24,27)/b25-21-.
What are the key properties of 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46863039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).