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

C13H15N3OS — CID 103427458

IUPAC1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NC(C)c2cccnc2)cc1N
InChIInChI=1S/C13H15N3OS/c1-8(10-4-3-5-15-7-10)16-12-6-11(14)13(18-12)9(2)17/h3-8,16H,14H2,1-2H3
InChIKeyNVICLVDAWFRYED-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.10
Rot. Bonds4

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

1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone (PubChem CID 103427458) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
PubChem CID103427458
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NC(C)c2cccnc2)cc1N
InChIInChI=1S/C13H15N3OS/c1-8(10-4-3-5-15-7-10)16-12-6-11(14)13(18-12)9(2)17/h3-8,16H,14H2,1-2H3
InChIKeyNVICLVDAWFRYED-UHFFFAOYSA-N
XLogP3.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.10
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]propan-1-one
CID 103427489
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
methyl 3-amino-2-(1-pyridin-3-ylethylamino)benzoate
CID 115934150
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
CID 81439571
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-2-carboxamide
CID 114405461
4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669916
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 63360788
4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
CID 103427456
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone (CID 103427458) is 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone is CC(=O)c1sc(NC(C)c2cccnc2)cc1N.
What is the InChIKey of 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone?
The InChIKey is NVICLVDAWFRYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8(10-4-3-5-15-7-10)16-12-6-11(14)13(18-12)9(2)17/h3-8,16H,14H2,1-2H3.
What are the key properties of 1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone?
1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 3.10, 4 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]ethanone is sourced from PubChem (CID 103427458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).