1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one

C15H15N3OS — CID 116601574

IUPAC1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
SMILESCn1nc(CC(=O)C(N)c2cccs2)c2ccccc21
InChIInChI=1S/C15H15N3OS/c1-18-12-6-3-2-5-10(12)11(17-18)9-13(19)15(16)14-7-4-8-20-14/h2-8,15H,9,16H2,1H3
InChIKeyFWZUNZFMUCMJCM-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.45
Rot. Bonds4

About 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one

1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one (PubChem CID 116601574) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
PubChem CID116601574
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
SMILESCn1nc(CC(=O)C(N)c2cccs2)c2ccccc21
InChIInChI=1S/C15H15N3OS/c1-18-12-6-3-2-5-10(12)11(17-18)9-13(19)15(16)14-7-4-8-20-14/h2-8,15H,9,16H2,1H3
InChIKeyFWZUNZFMUCMJCM-UHFFFAOYSA-N
XLogP2.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindazol-3-yl)acetamide
CID 67465474
3-amino-1-(1-methylindazol-3-yl)hex-5-en-2-one
CID 116606953
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601573
3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one
CID 116574544
1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601651
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105111099
3-ethoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-one
CID 116708638
N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 63001715
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-one
CID 116707739
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107519

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one (CID 116601574) is 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one is Cn1nc(CC(=O)C(N)c2cccs2)c2ccccc21.
What is the InChIKey of 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The InChIKey is FWZUNZFMUCMJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18-12-6-3-2-5-10(12)11(17-18)9-13(19)15(16)14-7-4-8-20-14/h2-8,15H,9,16H2,1H3.
What are the key properties of 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one?
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one has a molecular weight of 285.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 116601574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).