(4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone

C14H12FNOS2 — CID 81260617

IUPAC(4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
SMILESNc1ccc(C(=O)c2cc3c(s2)CCSC3)cc1F
InChIInChI=1S/C14H12FNOS2/c15-10-5-8(1-2-11(10)16)14(17)13-6-9-7-18-4-3-12(9)19-13/h1-2,5-6H,3-4,7,16H2
InChIKeyWGUGQMBNTDKMMT-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.49
Rot. Bonds2

About (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone

(4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone (PubChem CID 81260617) has the molecular formula C14H12FNOS2 and a molecular weight of 293.39 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
PubChem CID81260617
Molecular FormulaC14H12FNOS2
Molecular Weight293.39 g/mol
Exact Mass293.03
IUPAC Name(4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
SMILESNc1ccc(C(=O)c2cc3c(s2)CCSC3)cc1F
InChIInChI=1S/C14H12FNOS2/c15-10-5-8(1-2-11(10)16)14(17)13-6-9-7-18-4-3-12(9)19-13/h1-2,5-6H,3-4,7,16H2
InChIKeyWGUGQMBNTDKMMT-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone 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 (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone (CID 81260617) is (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone is Nc1ccc(C(=O)c2cc3c(s2)CCSC3)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The InChIKey is WGUGQMBNTDKMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS2/c15-10-5-8(1-2-11(10)16)14(17)13-6-9-7-18-4-3-12(9)19-13/h1-2,5-6H,3-4,7,16H2.
What are the key properties of (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
(4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone has a molecular weight of 293.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone is sourced from PubChem (CID 81260617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).