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

C14H17N3OS — CID 103427489

IUPAC1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC(C)c2cccnc2)cc1N
InChIInChI=1S/C14H17N3OS/c1-3-12(18)14-11(15)7-13(19-14)17-9(2)10-5-4-6-16-8-10/h4-9,17H,3,15H2,1-2H3
InChIKeyXUIGXZRWDZJQLM-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.49
Rot. Bonds5

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

1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one (PubChem CID 103427489) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one
PubChem CID103427489
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC(C)c2cccnc2)cc1N
InChIInChI=1S/C14H17N3OS/c1-3-12(18)14-11(15)7-13(19-14)17-9(2)10-5-4-6-16-8-10/h4-9,17H,3,15H2,1-2H3
InChIKeyXUIGXZRWDZJQLM-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
CID 103427458
4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
CID 103427456
4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 63360788
methyl 3-amino-2-(1-pyridin-3-ylethylamino)benzoate
CID 115934150
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
CID 81439571
ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526509
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-2-carboxamide
CID 114405461
4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
CID 81292604

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one (CID 103427489) is 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one is CCC(=O)c1sc(NC(C)c2cccnc2)cc1N.
What is the InChIKey of 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one?
The InChIKey is XUIGXZRWDZJQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-12(18)14-11(15)7-13(19-14)17-9(2)10-5-4-6-16-8-10/h4-9,17H,3,15H2,1-2H3.
What are the key properties of 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one?
1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one has a molecular weight of 275.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103427489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).