2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol

C9H15N3OS — CID 83886087

IUPAC2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol
SMILESNC(CO)c1cnc(N2CCCC2)s1
InChIInChI=1S/C9H15N3OS/c10-7(6-13)8-5-11-9(14-8)12-3-1-2-4-12/h5,7,13H,1-4,6,10H2
InChIKeyBZZKGRDNGBSFIT-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol

2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol (PubChem CID 83886087) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol
PubChem CID83886087
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol
SMILESNC(CO)c1cnc(N2CCCC2)s1
InChIInChI=1S/C9H15N3OS/c10-7(6-13)8-5-11-9(14-8)12-3-1-2-4-12/h5,7,13H,1-4,6,10H2
InChIKeyBZZKGRDNGBSFIT-UHFFFAOYSA-N
XLogP0.74
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol (CID 83886087) is 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol is NC(CO)c1cnc(N2CCCC2)s1.
What is the InChIKey of 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol?
The InChIKey is BZZKGRDNGBSFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-7(6-13)8-5-11-9(14-8)12-3-1-2-4-12/h5,7,13H,1-4,6,10H2.
What are the key properties of 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol?
2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol has a molecular weight of 213.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 83886087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).