(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone

C14H12FNOS — CID 11129084

IUPAC(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone
SMILESNc1sc2c(c1C(=O)c1cccc(F)c1)CCC2
InChIInChI=1S/C14H12FNOS/c15-9-4-1-3-8(7-9)13(17)12-10-5-2-6-11(10)18-14(12)16/h1,3-4,7H,2,5-6,16H2
InChIKeyIKCROCHLDCUTIP-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.19
Rot. Bonds2

About (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone

(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone (PubChem CID 11129084) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone
PubChem CID11129084
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone
SMILESNc1sc2c(c1C(=O)c1cccc(F)c1)CCC2
InChIInChI=1S/C14H12FNOS/c15-9-4-1-3-8(7-9)13(17)12-10-5-2-6-11(10)18-14(12)16/h1,3-4,7H,2,5-6,16H2
InChIKeyIKCROCHLDCUTIP-UHFFFAOYSA-N
XLogP3.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-(3-iodophenyl)methanone
CID 10862217
(2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-fluorophenyl)methanone
CID 4868422
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
CID 860207
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-ylmethanone
CID 66603691
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
CID 65354676
benzoyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 139994449
4-(2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)benzonitrile
CID 10858964
2-amino-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 22133057
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(3-chlorophenyl)methanone
CID 21037074
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone (CID 11129084) is (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone is Nc1sc2c(c1C(=O)c1cccc(F)c1)CCC2.
What is the InChIKey of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone?
The InChIKey is IKCROCHLDCUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c15-9-4-1-3-8(7-9)13(17)12-10-5-2-6-11(10)18-14(12)16/h1,3-4,7H,2,5-6,16H2.
What are the key properties of (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone?
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone has a molecular weight of 261.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 11129084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).