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

C11H10FN3OS2 — CID 3769533

IUPAC4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCn1c(N)c(C(=O)Nc2ccccc2F)sc1=S
InChIInChI=1S/C11H10FN3OS2/c1-15-9(13)8(18-11(15)17)10(16)14-7-5-3-2-4-6(7)12/h2-5H,13H2,1H3,(H,14,16)
InChIKeyZAKPCTBIXWLOBB-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.79
Rot. Bonds2

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

4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3769533) has the molecular formula C11H10FN3OS2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3769533
Molecular FormulaC11H10FN3OS2
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC Name4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCn1c(N)c(C(=O)Nc2ccccc2F)sc1=S
InChIInChI=1S/C11H10FN3OS2/c1-15-9(13)8(18-11(15)17)10(16)14-7-5-3-2-4-6(7)12/h2-5H,13H2,1H3,(H,14,16)
InChIKeyZAKPCTBIXWLOBB-UHFFFAOYSA-N
XLogP2.79
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.79
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-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3769533) is 4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is Cn1c(N)c(C(=O)Nc2ccccc2F)sc1=S.
What is the InChIKey of 4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is ZAKPCTBIXWLOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS2/c1-15-9(13)8(18-11(15)17)10(16)14-7-5-3-2-4-6(7)12/h2-5H,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3769533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).