5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline

C13H14FNOS2 — CID 63592313

IUPAC5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline
SMILESCC(C)Oc1cc(Sc2cccs2)c(N)cc1F
InChIInChI=1S/C13H14FNOS2/c1-8(2)16-11-7-12(10(15)6-9(11)14)18-13-4-3-5-17-13/h3-8H,15H2,1-2H3
InChIKeyUHEGEIXCCAVHAH-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.41
Rot. Bonds4

About 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline

5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline (PubChem CID 63592313) has the molecular formula C13H14FNOS2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline.

Molecular Properties

Compound Name5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline
PubChem CID63592313
Molecular FormulaC13H14FNOS2
Molecular Weight283.39 g/mol
Exact Mass283.05
IUPAC Name5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline
SMILESCC(C)Oc1cc(Sc2cccs2)c(N)cc1F
InChIInChI=1S/C13H14FNOS2/c1-8(2)16-11-7-12(10(15)6-9(11)14)18-13-4-3-5-17-13/h3-8H,15H2,1-2H3
InChIKeyUHEGEIXCCAVHAH-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-4-thiophen-2-ylsulfanylbenzoic acid
CID 113394300
1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 63836234
5-bromo-2-thiophen-2-ylsulfanylaniline
CID 28602794
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43200148
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 63593111
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460
(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82152491
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
CID 63804996

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline?
The IUPAC name of 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline (CID 63592313) is 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline.
What is the SMILES notation for 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline?
The canonical SMILES for 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline is CC(C)Oc1cc(Sc2cccs2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline?
The InChIKey is UHEGEIXCCAVHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS2/c1-8(2)16-11-7-12(10(15)6-9(11)14)18-13-4-3-5-17-13/h3-8H,15H2,1-2H3.
What are the key properties of 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline?
5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline has a molecular weight of 283.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-yloxy-2-thiophen-2-ylsulfanylaniline is sourced from PubChem (CID 63592313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).