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

C12H16N4OS — CID 106218908

IUPAC1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC(C)c2cn[nH]c2)cc1N
InChIInChI=1S/C12H16N4OS/c1-3-10(17)12-9(13)4-11(18-12)16-7(2)8-5-14-15-6-8/h4-7,16H,3,13H2,1-2H3,(H,14,15)
InChIKeyYCEREXOGFSGKNY-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.82
Rot. Bonds5

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

1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one (PubChem CID 106218908) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one
PubChem CID106218908
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC(C)c2cn[nH]c2)cc1N
InChIInChI=1S/C12H16N4OS/c1-3-10(17)12-9(13)4-11(18-12)16-7(2)8-5-14-15-6-8/h4-7,16H,3,13H2,1-2H3,(H,14,15)
InChIKeyYCEREXOGFSGKNY-UHFFFAOYSA-N
XLogP2.82
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
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
methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate
CID 106218962
3-amino-4-[1-(1H-pyrazol-4-yl)ethylamino]benzamide
CID 106217149
3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424063
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 106218801
1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone
CID 106218937
methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 104953289
1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one
CID 69238369
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
CID 103508445
3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide
CID 103508211
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one (CID 106218908) is 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one is CCC(=O)c1sc(NC(C)c2cn[nH]c2)cc1N.
What is the InChIKey of 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one?
The InChIKey is YCEREXOGFSGKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-10(17)12-9(13)4-11(18-12)16-7(2)8-5-14-15-6-8/h4-7,16H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one?
1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one has a molecular weight of 264.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 106218908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).