5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol

C17H14ClNOS — CID 81233900

IUPAC5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol
SMILESOc1cccc2c(NC3CCc4sc(Cl)cc43)cccc12
InChIInChI=1S/C17H14ClNOS/c18-17-9-12-14(7-8-16(12)21-17)19-13-5-1-4-11-10(13)3-2-6-15(11)20/h1-6,9,14,19-20H,7-8H2
InChIKeyJHQCCLVIYAXMKZ-UHFFFAOYSA-N
MW315.82 g/mol
LogP5.36
Rot. Bonds2

About 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol

5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol (PubChem CID 81233900) has the molecular formula C17H14ClNOS and a molecular weight of 315.82 g/mol. Its IUPAC name is 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol
PubChem CID81233900
Molecular FormulaC17H14ClNOS
Molecular Weight315.82 g/mol
Exact Mass315.05
IUPAC Name5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol
SMILESOc1cccc2c(NC3CCc4sc(Cl)cc43)cccc12
InChIInChI=1S/C17H14ClNOS/c18-17-9-12-14(7-8-16(12)21-17)19-13-5-1-4-11-10(13)3-2-6-15(11)20/h1-6,9,14,19-20H,7-8H2
InChIKeyJHQCCLVIYAXMKZ-UHFFFAOYSA-N
XLogP5.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.82
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine
CID 81234819
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol
CID 81252902
2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252050
2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251828
N-(3-bromo-2-methylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 107629950
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-8-methylquinolin-5-amine
CID 81233746
2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251416
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
CID 81252058
2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155
N-(4-bromo-2-chlorophenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251718
2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251839

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol?
The IUPAC name of 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol (CID 81233900) is 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol.
What is the SMILES notation for 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol?
The canonical SMILES for 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol is Oc1cccc2c(NC3CCc4sc(Cl)cc43)cccc12.
What is the InChIKey of 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol?
The InChIKey is JHQCCLVIYAXMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c18-17-9-12-14(7-8-16(12)21-17)19-13-5-1-4-11-10(13)3-2-6-15(11)20/h1-6,9,14,19-20H,7-8H2.
What are the key properties of 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol?
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol has a molecular weight of 315.82 g/mol, XLogP of 5.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol is sourced from PubChem (CID 81233900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).