1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone

C12H16N4O2S — CID 106218937

IUPAC1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone
SMILESCOc1c(NC(C)c2cn[nH]c2)sc(C(C)=O)c1N
InChIInChI=1S/C12H16N4O2S/c1-6(8-4-14-15-5-8)16-12-10(18-3)9(13)11(19-12)7(2)17/h4-6,16H,13H2,1-3H3,(H,14,15)
InChIKeyKCTNIVVCRQTIKP-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.44
Rot. Bonds5

About 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone

1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone (PubChem CID 106218937) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone
PubChem CID106218937
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone
SMILESCOc1c(NC(C)c2cn[nH]c2)sc(C(C)=O)c1N
InChIInChI=1S/C12H16N4O2S/c1-6(8-4-14-15-5-8)16-12-10(18-3)9(13)11(19-12)7(2)17/h4-6,16H,13H2,1-3H3,(H,14,15)
InChIKeyKCTNIVVCRQTIKP-UHFFFAOYSA-N
XLogP2.44
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate
CID 106218962
1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099
methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 106218801
1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one
CID 106218908
3-amino-4-methoxy-N,N-dimethyl-5-(propan-2-ylamino)thiophene-2-carboxamide
CID 103423279
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
3-methoxy-1-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217181
1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
CID 106045062
1-[3-amino-5-[2-(4-fluorophenyl)ethylamino]-4-methoxythiophen-2-yl]ethanone
CID 103424999
1-[3-amino-4-methoxy-5-(piperidin-4-ylamino)thiophen-2-yl]ethanone
CID 103525555
methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 104953289
3-amino-4-[1-(1H-pyrazol-4-yl)ethylamino]benzamide
CID 106217149

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone (CID 106218937) is 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone is COc1c(NC(C)c2cn[nH]c2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone?
The InChIKey is KCTNIVVCRQTIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-6(8-4-14-15-5-8)16-12-10(18-3)9(13)11(19-12)7(2)17/h4-6,16H,13H2,1-3H3,(H,14,15).
What are the key properties of 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone?
1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone has a molecular weight of 280.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone is sourced from PubChem (CID 106218937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).