4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C17H14FN3OS2 — CID 42585841

IUPAC4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESNc1c(C(=O)Nc2cccc(F)c2)sc(=S)n1Cc1ccccc1
InChIInChI=1S/C17H14FN3OS2/c18-12-7-4-8-13(9-12)20-16(22)14-15(19)21(17(23)24-14)10-11-5-2-1-3-6-11/h1-9H,10,19H2,(H,20,22)
InChIKeyHSAIEKZBKQQORV-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.30
Rot. Bonds4

About 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 42585841) has the molecular formula C17H14FN3OS2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID42585841
Molecular FormulaC17H14FN3OS2
Molecular Weight359.45 g/mol
Exact Mass359.06
IUPAC Name4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESNc1c(C(=O)Nc2cccc(F)c2)sc(=S)n1Cc1ccccc1
InChIInChI=1S/C17H14FN3OS2/c18-12-7-4-8-13(9-12)20-16(22)14-15(19)21(17(23)24-14)10-11-5-2-1-3-6-11/h1-9H,10,19H2,(H,20,22)
InChIKeyHSAIEKZBKQQORV-UHFFFAOYSA-N
XLogP4.30
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide 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-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
4-amino-3-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 46287575
3-amino-4-fluoro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79516844
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
5-amino-N-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 7386138
N-(3-fluorophenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099884
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
6-(4-benzylpiperazin-1-yl)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109352037

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 42585841) is 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is Nc1c(C(=O)Nc2cccc(F)c2)sc(=S)n1Cc1ccccc1.
What is the InChIKey of 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is HSAIEKZBKQQORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS2/c18-12-7-4-8-13(9-12)20-16(22)14-15(19)21(17(23)24-14)10-11-5-2-1-3-6-11/h1-9H,10,19H2,(H,20,22).
What are the key properties of 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-benzyl-N-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42585841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).