4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine

C17H12FN3OS2 — CID 133370918

IUPAC4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCc3coc(-c4cccs4)n3)n2)cc1
InChIInChI=1S/C17H12FN3OS2/c18-12-5-3-11(4-6-12)14-10-24-17(21-14)19-8-13-9-22-16(20-13)15-2-1-7-23-15/h1-7,9-10H,8H2,(H,19,21)
InChIKeyGKESZCXMIVBGOY-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.28
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 133370918) has the molecular formula C17H12FN3OS2 and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID133370918
Molecular FormulaC17H12FN3OS2
Molecular Weight357.44 g/mol
Exact Mass357.04
IUPAC Name4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCc3coc(-c4cccs4)n3)n2)cc1
InChIInChI=1S/C17H12FN3OS2/c18-12-5-3-11(4-6-12)14-10-24-17(21-14)19-8-13-9-22-16(20-13)15-2-1-7-23-15/h1-7,9-10H,8H2,(H,19,21)
InChIKeyGKESZCXMIVBGOY-UHFFFAOYSA-N
XLogP5.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine 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

4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 133372541
5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]furan-2-carboxamide
CID 29320925
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 71888202
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
CID 133370970
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111591021
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
1-butan-2-yl-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 110943843

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 133370918) is 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(NCc3coc(-c4cccs4)n3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is GKESZCXMIVBGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS2/c18-12-5-3-11(4-6-12)14-10-24-17(21-14)19-8-13-9-22-16(20-13)15-2-1-7-23-15/h1-7,9-10H,8H2,(H,19,21).
What are the key properties of 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 357.44 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 133370918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).