2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol

C11H19N3OS — CID 79771274

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol
SMILESNc1ncc(CN(CCO)C2CCCC2)s1
InChIInChI=1S/C11H19N3OS/c12-11-13-7-10(16-11)8-14(5-6-15)9-3-1-2-4-9/h7,9,15H,1-6,8H2,(H2,12,13)
InChIKeyGRZNHLOTPLBWOI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.46
Rot. Bonds5

About 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol

2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol (PubChem CID 79771274) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol
PubChem CID79771274
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol
SMILESNc1ncc(CN(CCO)C2CCCC2)s1
InChIInChI=1S/C11H19N3OS/c12-11-13-7-10(16-11)8-14(5-6-15)9-3-1-2-4-9/h7,9,15H,1-6,8H2,(H2,12,13)
InChIKeyGRZNHLOTPLBWOI-UHFFFAOYSA-N
XLogP1.46
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol (CID 79771274) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol is Nc1ncc(CN(CCO)C2CCCC2)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol?
The InChIKey is GRZNHLOTPLBWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c12-11-13-7-10(16-11)8-14(5-6-15)9-3-1-2-4-9/h7,9,15H,1-6,8H2,(H2,12,13).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol?
2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol has a molecular weight of 241.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol is sourced from PubChem (CID 79771274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).