N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C15H13FN4OS2 — CID 6473371

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H13FN4OS2/c1-20-7-6-17-15(20)23-9-13(21)19-14-18-12(8-22-14)10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyWHDLCBIGGUBJLQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.41
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 6473371) has the molecular formula C15H13FN4OS2 and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID6473371
Molecular FormulaC15H13FN4OS2
Molecular Weight348.43 g/mol
Exact Mass348.05
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H13FN4OS2/c1-20-7-6-17-15(20)23-9-13(21)19-14-18-12(8-22-14)10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyWHDLCBIGGUBJLQ-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide 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-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 6473371) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is WHDLCBIGGUBJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS2/c1-20-7-6-17-15(20)23-9-13(21)19-14-18-12(8-22-14)10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,18,19,21).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 348.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 6473371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).