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1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone

C13H22N2O3S — CID 103425025

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCOCC(C)Nc1sc(C(C)=O)c(N)c1OC(C)C
InChIInChI=1S/C13H22N2O3S/c1-7(2)18-11-10(14)12(9(4)16)19-13(11)15-8(3)6-17-5/h7-8,15H,6,14H2,1-5H3
InChIKeyPADBITDQCJYTPA-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.77
Rot. Bonds7

About 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone

1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone (PubChem CID 103425025) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
PubChem CID103425025
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCOCC(C)Nc1sc(C(C)=O)c(N)c1OC(C)C
InChIInChI=1S/C13H22N2O3S/c1-7(2)18-11-10(14)12(9(4)16)19-13(11)15-8(3)6-17-5/h7-8,15H,6,14H2,1-5H3
InChIKeyPADBITDQCJYTPA-UHFFFAOYSA-N
XLogP2.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone (CID 103425025) is 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone is COCC(C)Nc1sc(C(C)=O)c(N)c1OC(C)C.
What is the InChIKey of 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone?
The InChIKey is PADBITDQCJYTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-7(2)18-11-10(14)12(9(4)16)19-13(11)15-8(3)6-17-5/h7-8,15H,6,14H2,1-5H3.
What are the key properties of 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone?
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone has a molecular weight of 286.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone is sourced from PubChem (CID 103425025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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