1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone

C15H18N2OS — CID 104612544

IUPAC1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
SMILESCCC(Nc1ccc(N)c(C(C)=O)c1)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-3-14(15-5-4-8-19-15)17-11-6-7-13(16)12(9-11)10(2)18/h4-9,14,17H,3,16H2,1-2H3
InChIKeyIROUWQFJNBVHFD-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.10
Rot. Bonds5

About 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone

1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone (PubChem CID 104612544) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
PubChem CID104612544
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
SMILESCCC(Nc1ccc(N)c(C(C)=O)c1)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-3-14(15-5-4-8-19-15)17-11-6-7-13(16)12(9-11)10(2)18/h4-9,14,17H,3,16H2,1-2H3
InChIKeyIROUWQFJNBVHFD-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-4-(1-thiophen-2-ylpropylamino)phenyl]acetamide
CID 43672924
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
2-bromo-4-(1-thiophen-2-ylpropylamino)benzonitrile
CID 107276105
1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186
3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 115377070
2-methyl-4-(1-thiophen-2-ylbutylamino)benzoic acid
CID 81282435
4-chloro-3-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 43719388
1-[2-amino-4-(1-thiophen-2-ylpropan-2-ylamino)phenyl]ethanone
CID 104528838
ethyl 2-amino-5-(1-thiophen-2-ylpropan-2-ylamino)benzoate
CID 63295836
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 80739715

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone (CID 104612544) is 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone is CCC(Nc1ccc(N)c(C(C)=O)c1)c1cccs1.
What is the InChIKey of 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone?
The InChIKey is IROUWQFJNBVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-14(15-5-4-8-19-15)17-11-6-7-13(16)12(9-11)10(2)18/h4-9,14,17H,3,16H2,1-2H3.
What are the key properties of 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone?
1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone has a molecular weight of 274.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone is sourced from PubChem (CID 104612544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).