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

C19H17FN2OS2 — CID 4520862

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2OS2/c1-13-2-6-15(7-3-13)17-12-25-19(24)22(17)11-18(23)21-10-14-4-8-16(20)9-5-14/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyVPXIHSKSZRAVKE-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.71
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide (PubChem CID 4520862) has the molecular formula C19H17FN2OS2 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
PubChem CID4520862
Molecular FormulaC19H17FN2OS2
Molecular Weight372.49 g/mol
Exact Mass372.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2OS2/c1-13-2-6-15(7-3-13)17-12-25-19(24)22(17)11-18(23)21-10-14-4-8-16(20)9-5-14/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyVPXIHSKSZRAVKE-UHFFFAOYSA-N
XLogP4.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]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-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide (CID 4520862) is N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide is Cc1ccc(-c2csc(=S)n2CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The InChIKey is VPXIHSKSZRAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS2/c1-13-2-6-15(7-3-13)17-12-25-19(24)22(17)11-18(23)21-10-14-4-8-16(20)9-5-14/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide has a molecular weight of 372.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 4520862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).