2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol

C8H14N2OS — CID 69333526

IUPAC2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol
SMILESCc1c(N)sc(NCCO)c1C
InChIInChI=1S/C8H14N2OS/c1-5-6(2)8(10-3-4-11)12-7(5)9/h10-11H,3-4,9H2,1-2H3
InChIKeyBZVXGMPSDMQRQN-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.35
Rot. Bonds3

About 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol

2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol (PubChem CID 69333526) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol
PubChem CID69333526
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol
SMILESCc1c(N)sc(NCCO)c1C
InChIInChI=1S/C8H14N2OS/c1-5-6(2)8(10-3-4-11)12-7(5)9/h10-11H,3-4,9H2,1-2H3
InChIKeyBZVXGMPSDMQRQN-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol?
The IUPAC name of 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol (CID 69333526) is 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol is Cc1c(N)sc(NCCO)c1C.
What is the InChIKey of 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol?
The InChIKey is BZVXGMPSDMQRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5-6(2)8(10-3-4-11)12-7(5)9/h10-11H,3-4,9H2,1-2H3.
What are the key properties of 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol?
2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol has a molecular weight of 186.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol is sourced from PubChem (CID 69333526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).