1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone

C12H20N2OS — CID 103508445

IUPAC1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
SMILESCCC(Nc1cc(N)c(C(C)=O)s1)C(C)C
InChIInChI=1S/C12H20N2OS/c1-5-10(7(2)3)14-11-6-9(13)12(16-11)8(4)15/h6-7,10,14H,5,13H2,1-4H3
InChIKeyGCNMVWZYDWQVAZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.38
Rot. Bonds5

About 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone

1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone (PubChem CID 103508445) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
PubChem CID103508445
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
SMILESCCC(Nc1cc(N)c(C(C)=O)s1)C(C)C
InChIInChI=1S/C12H20N2OS/c1-5-10(7(2)3)14-11-6-9(13)12(16-11)8(4)15/h6-7,10,14H,5,13H2,1-4H3
InChIKeyGCNMVWZYDWQVAZ-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424063
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
CID 103427458
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166
3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide
CID 103508211
1-[3-amino-5-[(1-ethylcyclobutyl)methylamino]thiophen-2-yl]ethanone
CID 114110179
3-amino-5-(pentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103424021
1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103424271
3-amino-5-(1-cyclopropylethylamino)thiophene-2-carboxamide
CID 103427586
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone (CID 103508445) is 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone is CCC(Nc1cc(N)c(C(C)=O)s1)C(C)C.
What is the InChIKey of 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone?
The InChIKey is GCNMVWZYDWQVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-10(7(2)3)14-11-6-9(13)12(16-11)8(4)15/h6-7,10,14H,5,13H2,1-4H3.
What are the key properties of 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone?
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone has a molecular weight of 240.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone is sourced from PubChem (CID 103508445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).