2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol

C11H17N3O2S — CID 69289821

IUPAC2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCn1c(N)cc2sc(N(CCO)CCO)cc21
InChIInChI=1S/C11H17N3O2S/c1-13-8-6-11(14(2-4-15)3-5-16)17-9(8)7-10(13)12/h6-7,15-16H,2-5,12H2,1H3
InChIKeyYJHVVUDVMZBTID-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.61
Rot. Bonds5

About 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol

2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 69289821) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID69289821
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCn1c(N)cc2sc(N(CCO)CCO)cc21
InChIInChI=1S/C11H17N3O2S/c1-13-8-6-11(14(2-4-15)3-5-16)17-9(8)7-10(13)12/h6-7,15-16H,2-5,12H2,1H3
InChIKeyYJHVVUDVMZBTID-UHFFFAOYSA-N
XLogP0.61
TPSA74.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol (CID 69289821) is 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol is Cn1c(N)cc2sc(N(CCO)CCO)cc21.
What is the InChIKey of 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YJHVVUDVMZBTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-13-8-6-11(14(2-4-15)3-5-16)17-9(8)7-10(13)12/h6-7,15-16H,2-5,12H2,1H3.
What are the key properties of 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 255.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methylthieno[3,2-b]pyrrol-2-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 69289821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).