1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone

C10H16N2O2S — CID 103423278

IUPAC1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
SMILESCOc1c(NC(C)C)sc(C(C)=O)c1N
InChIInChI=1S/C10H16N2O2S/c1-5(2)12-10-8(14-4)7(11)9(15-10)6(3)13/h5,12H,11H2,1-4H3
InChIKeyRBNWCTFDRYIYHN-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.36
Rot. Bonds4

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

1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone (PubChem CID 103423278) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
PubChem CID103423278
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
SMILESCOc1c(NC(C)C)sc(C(C)=O)c1N
InChIInChI=1S/C10H16N2O2S/c1-5(2)12-10-8(14-4)7(11)9(15-10)6(3)13/h5,12H,11H2,1-4H3
InChIKeyRBNWCTFDRYIYHN-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099
3-amino-4-methoxy-N,N-dimethyl-5-(propan-2-ylamino)thiophene-2-carboxamide
CID 103423279
1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone
CID 106218937
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
CID 106045062
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
CID 103426950
1-[3-amino-4-methoxy-5-[(1-methylcyclopropyl)methylamino]thiophen-2-yl]ethanone
CID 114102753
1-[3-amino-4-methoxy-5-(piperidin-4-ylamino)thiophen-2-yl]ethanone
CID 103525555
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424037
[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425110
[3-amino-4-methoxy-5-(2-methylpentan-3-ylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103508452

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone (CID 103423278) is 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone is COc1c(NC(C)C)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone?
The InChIKey is RBNWCTFDRYIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5(2)12-10-8(14-4)7(11)9(15-10)6(3)13/h5,12H,11H2,1-4H3.
What are the key properties of 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone?
1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone has a molecular weight of 228.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone is sourced from PubChem (CID 103423278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).