1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone

C14H20N4O2S — CID 103507970

IUPAC1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCn2cccn2)c(OC(C)C)c1N
InChIInChI=1S/C14H20N4O2S/c1-9(2)20-12-11(15)13(10(3)19)21-14(12)16-6-8-18-7-4-5-17-18/h4-5,7,9,16H,6,8,15H2,1-3H3
InChIKeyIABWLSJKCZXSQO-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.63
Rot. Bonds7

About 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone

1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone (PubChem CID 103507970) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone
PubChem CID103507970
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCn2cccn2)c(OC(C)C)c1N
InChIInChI=1S/C14H20N4O2S/c1-9(2)20-12-11(15)13(10(3)19)21-14(12)16-6-8-18-7-4-5-17-18/h4-5,7,9,16H,6,8,15H2,1-3H3
InChIKeyIABWLSJKCZXSQO-UHFFFAOYSA-N
XLogP2.63
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone with MolForge

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Related Compounds

5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide
CID 103507969
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103507965
methyl 3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103507973
methyl 3-amino-4-cyano-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103508015
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103365233
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
CID 103507976
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
CID 103507981

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone (CID 103507970) is 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone is CC(=O)c1sc(NCCn2cccn2)c(OC(C)C)c1N.
What is the InChIKey of 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone?
The InChIKey is IABWLSJKCZXSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9(2)20-12-11(15)13(10(3)19)21-14(12)16-6-8-18-7-4-5-17-18/h4-5,7,9,16H,6,8,15H2,1-3H3.
What are the key properties of 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone?
1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone has a molecular weight of 308.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone is sourced from PubChem (CID 103507970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).