3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol

C11H11Cl2NOS2 — CID 107966805

IUPAC3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol
SMILESNCC(c1cccs1)C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H11Cl2NOS2/c12-9-4-6(11(13)17-9)10(15)7(5-14)8-2-1-3-16-8/h1-4,7,10,15H,5,14H2
InChIKeyVMXAMNGOAHMIND-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.89
Rot. Bonds4

About 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol

3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol (PubChem CID 107966805) has the molecular formula C11H11Cl2NOS2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol
PubChem CID107966805
Molecular FormulaC11H11Cl2NOS2
Molecular Weight308.26 g/mol
Exact Mass306.97
IUPAC Name3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol
SMILESNCC(c1cccs1)C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H11Cl2NOS2/c12-9-4-6(11(13)17-9)10(15)7(5-14)8-2-1-3-16-8/h1-4,7,10,15H,5,14H2
InChIKeyVMXAMNGOAHMIND-UHFFFAOYSA-N
XLogP3.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 107966850
3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190346
3-amino-1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190198
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190142
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
CID 82819024
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
CID 65190040
1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
CID 65190352

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol (CID 107966805) is 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol is NCC(c1cccs1)C(O)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol?
The InChIKey is VMXAMNGOAHMIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NOS2/c12-9-4-6(11(13)17-9)10(15)7(5-14)8-2-1-3-16-8/h1-4,7,10,15H,5,14H2.
What are the key properties of 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol?
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol has a molecular weight of 308.26 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 107966805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).