1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one

C10H16N2OS — CID 103423162

IUPAC1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
SMILESCCCNc1cc(N)c(C(=O)CC)s1
InChIInChI=1S/C10H16N2OS/c1-3-5-12-9-6-7(11)10(14-9)8(13)4-2/h6,12H,3-5,11H2,1-2H3
InChIKeyCDUJSYKAMMXDDX-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.74
Rot. Bonds5

About 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one

1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one (PubChem CID 103423162) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
PubChem CID103423162
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
SMILESCCCNc1cc(N)c(C(=O)CC)s1
InChIInChI=1S/C10H16N2OS/c1-3-5-12-9-6-7(11)10(14-9)8(13)4-2/h6,12H,3-5,11H2,1-2H3
InChIKeyCDUJSYKAMMXDDX-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
1-[3-amino-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505977
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
1-[3-amino-5-(5,5,5-trifluoropentylamino)thiophen-2-yl]propan-1-one
CID 103506034
1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
CID 103424660
1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
CID 103507976
1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one
CID 106262781
1-[3-amino-5-[(2,4-difluorophenyl)methylamino]thiophen-2-yl]propan-1-one
CID 103525840
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one (CID 103423162) is 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one is CCCNc1cc(N)c(C(=O)CC)s1.
What is the InChIKey of 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one?
The InChIKey is CDUJSYKAMMXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-5-12-9-6-7(11)10(14-9)8(13)4-2/h6,12H,3-5,11H2,1-2H3.
What are the key properties of 1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one?
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one has a molecular weight of 212.32 g/mol, XLogP of 2.74, 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-(propylamino)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103423162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).