2-amino-2-thiophen-3-ylethanol;hydrochloride

C6H10ClNOS — CID 170891880

IUPAC2-amino-2-thiophen-3-ylethanol;hydrochloride
SMILESCl.NC(CO)c1ccsc1
InChIInChI=1S/C6H9NOS.ClH/c7-6(3-8)5-1-2-9-4-5;/h1-2,4,6,8H,3,7H2;1H
InChIKeySEBBMVCMJVRUQP-UHFFFAOYSA-N
MW179.67 g/mol
LogP1.16
Rot. Bonds2

About 2-amino-2-thiophen-3-ylethanol;hydrochloride

2-amino-2-thiophen-3-ylethanol;hydrochloride (PubChem CID 170891880) has the molecular formula C6H10ClNOS and a molecular weight of 179.67 g/mol. Its IUPAC name is 2-amino-2-thiophen-3-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-thiophen-3-ylethanol;hydrochloride
PubChem CID170891880
Molecular FormulaC6H10ClNOS
Molecular Weight179.67 g/mol
Exact Mass179.02
IUPAC Name2-amino-2-thiophen-3-ylethanol;hydrochloride
SMILESCl.NC(CO)c1ccsc1
InChIInChI=1S/C6H9NOS.ClH/c7-6(3-8)5-1-2-9-4-5;/h1-2,4,6,8H,3,7H2;1H
InChIKeySEBBMVCMJVRUQP-UHFFFAOYSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.67
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24729666
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[2-Hydroxy-1-(thiophen-2-YL)ethyl]amine
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(2S)-1-amino-1-(2-fluorothiophen-3-yl)propan-2-ol
CID 142633970
(R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide
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(2S)-2-amino-2-[5-(difluoromethyl)thiophen-3-yl]ethanol
CID 55275402
2-Amino-2-[5-(difluoromethyl)thiophen-3-yl]ethanol
CID 55296160
2-Thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046201
1-Thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215455
2-(2,2,3,3-Tetrafluoropropoxy)-1-thiophen-3-ylethanamine
CID 103474856
(2S)-2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol
CID 124406444
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CID 124406445

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-thiophen-3-ylethanol;hydrochloride?
The IUPAC name of 2-amino-2-thiophen-3-ylethanol;hydrochloride (CID 170891880) is 2-amino-2-thiophen-3-ylethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-thiophen-3-ylethanol;hydrochloride?
The canonical SMILES for 2-amino-2-thiophen-3-ylethanol;hydrochloride is Cl.NC(CO)c1ccsc1.
What is the InChIKey of 2-amino-2-thiophen-3-ylethanol;hydrochloride?
The InChIKey is SEBBMVCMJVRUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS.ClH/c7-6(3-8)5-1-2-9-4-5;/h1-2,4,6,8H,3,7H2;1H.
What are the key properties of 2-amino-2-thiophen-3-ylethanol;hydrochloride?
2-amino-2-thiophen-3-ylethanol;hydrochloride has a molecular weight of 179.67 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-thiophen-3-ylethanol;hydrochloride is sourced from PubChem (CID 170891880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).