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

C16H11F2N3OS2 — CID 4693323

IUPAC4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2)sc(=S)n1-c1ccccc1F
InChIInChI=1S/C16H11F2N3OS2/c17-9-5-7-10(8-6-9)20-15(22)13-14(19)21(16(23)24-13)12-4-2-1-3-11(12)18/h1-8H,19H2,(H,20,22)
InChIKeyIMLWAEQEDNKOHH-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.38
Rot. Bonds3

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

4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 4693323) has the molecular formula C16H11F2N3OS2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID4693323
Molecular FormulaC16H11F2N3OS2
Molecular Weight363.41 g/mol
Exact Mass363.03
IUPAC Name4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2)sc(=S)n1-c1ccccc1F
InChIInChI=1S/C16H11F2N3OS2/c17-9-5-7-10(8-6-9)20-15(22)13-14(19)21(16(23)24-13)12-4-2-1-3-11(12)18/h1-8H,19H2,(H,20,22)
InChIKeyIMLWAEQEDNKOHH-UHFFFAOYSA-N
XLogP4.38
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 4693323) is 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is Nc1c(C(=O)Nc2ccc(F)cc2)sc(=S)n1-c1ccccc1F.
What is the InChIKey of 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is IMLWAEQEDNKOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS2/c17-9-5-7-10(8-6-9)20-15(22)13-14(19)21(16(23)24-13)12-4-2-1-3-11(12)18/h1-8H,19H2,(H,20,22).
What are the key properties of 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4693323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).