[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone

C13H20N2O3S — CID 103425110

IUPAC[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone
SMILESCOCC(C)Nc1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C13H20N2O3S/c1-7(6-17-2)15-13-11(18-3)9(14)12(19-13)10(16)8-4-5-8/h7-8,15H,4-6,14H2,1-3H3
InChIKeyFUZLGGYFLHVCIJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.38
Rot. Bonds7

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

[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103425110) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone
PubChem CID103425110
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone
SMILESCOCC(C)Nc1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C13H20N2O3S/c1-7(6-17-2)15-13-11(18-3)9(14)12(19-13)10(16)8-4-5-8/h7-8,15H,4-6,14H2,1-3H3
InChIKeyFUZLGGYFLHVCIJ-UHFFFAOYSA-N
XLogP2.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103425115
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
[3-amino-4-methoxy-5-(2-methylpentan-3-ylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103508452
[3-amino-4-methoxy-5-(3-methylbutylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425667
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026
[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103507066
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103426906
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075
1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
CID 103423278
[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103428631

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone (CID 103425110) is [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone is COCC(C)Nc1sc(C(=O)C2CC2)c(N)c1OC.
What is the InChIKey of [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is FUZLGGYFLHVCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-7(6-17-2)15-13-11(18-3)9(14)12(19-13)10(16)8-4-5-8/h7-8,15H,4-6,14H2,1-3H3.
What are the key properties of [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone?
[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 284.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103425110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).