1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one

C11H10ClNOS2 — CID 116601595

IUPAC1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one
SMILESNC(C(=O)Cc1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C11H10ClNOS2/c12-10-4-3-7(16-10)6-8(14)11(13)9-2-1-5-15-9/h1-5,11H,6,13H2
InChIKeyZCRCDTPQPUAFMX-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.27
Rot. Bonds4

About 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one

1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one (PubChem CID 116601595) has the molecular formula C11H10ClNOS2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one
PubChem CID116601595
Molecular FormulaC11H10ClNOS2
Molecular Weight271.79 g/mol
Exact Mass270.99
IUPAC Name1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one
SMILESNC(C(=O)Cc1ccc(Cl)s1)c1cccs1
InChIInChI=1S/C11H10ClNOS2/c12-10-4-3-7(16-10)6-8(14)11(13)9-2-1-5-15-9/h1-5,11H,6,13H2
InChIKeyZCRCDTPQPUAFMX-UHFFFAOYSA-N
XLogP3.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one
CID 116611485
[2-(5-chlorothiophen-2-yl)-1-thiophen-2-ylethyl]hydrazine
CID 105193742
1-amino-3-(5-chlorothiophen-2-yl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604948
1-amino-1-thiophen-2-ylpent-4-en-2-one
CID 116601434
3-[(5-chlorothiophen-2-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43727594
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide
CID 75381770
1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one
CID 62622059
1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one
CID 116601689
1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
CID 116601482
3-(aminomethyl)-1-(5-chlorothiophen-2-yl)-5-methylhexan-2-one
CID 116597969
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one (CID 116601595) is 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one is NC(C(=O)Cc1ccc(Cl)s1)c1cccs1.
What is the InChIKey of 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one?
The InChIKey is ZCRCDTPQPUAFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS2/c12-10-4-3-7(16-10)6-8(14)11(13)9-2-1-5-15-9/h1-5,11H,6,13H2.
What are the key properties of 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one?
1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one has a molecular weight of 271.79 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 116601595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).