(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone

C12H11NO2S2 — CID 21037073

IUPAC(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone
SMILESNc1sc2c(c1C(=O)c1ccco1)CCSC2
InChIInChI=1S/C12H11NO2S2/c13-12-10(11(14)8-2-1-4-15-8)7-3-5-16-6-9(7)17-12/h1-2,4H,3,5-6,13H2
InChIKeyHNBXPQYSPXRZJG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.94
Rot. Bonds2

About (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone

(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone (PubChem CID 21037073) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone
PubChem CID21037073
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone
SMILESNc1sc2c(c1C(=O)c1ccco1)CCSC2
InChIInChI=1S/C12H11NO2S2/c13-12-10(11(14)8-2-1-4-15-8)7-3-5-16-6-9(7)17-12/h1-2,4H,3,5-6,13H2
InChIKeyHNBXPQYSPXRZJG-UHFFFAOYSA-N
XLogP2.94
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone
CID 178016497
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone
CID 21037074
(2-amino-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-yl)-(furan-2-yl)methanone
CID 67300732
2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid
CID 7131406
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 17401502
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
CID 860207
(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
CID 116609945
furan-2-carboxamide;molecular hydrogen
CID 145259960
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-ylmethanone
CID 66603691
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone
CID 11129084
furan-2-yl(phosphanyl)methanone
CID 151549332
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-(3-iodophenyl)methanone
CID 10862217

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone?
The IUPAC name of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone (CID 21037073) is (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone?
The canonical SMILES for (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone is Nc1sc2c(c1C(=O)c1ccco1)CCSC2.
What is the InChIKey of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone?
The InChIKey is HNBXPQYSPXRZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c13-12-10(11(14)8-2-1-4-15-8)7-3-5-16-6-9(7)17-12/h1-2,4H,3,5-6,13H2.
What are the key properties of (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone?
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 21037073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).