1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol

C13H24N2OS — CID 55111940

IUPAC1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCCCCCN(c1ncc(C(C)O)s1)C(C)C
InChIInChI=1S/C13H24N2OS/c1-5-6-7-8-15(10(2)3)13-14-9-12(17-13)11(4)16/h9-11,16H,5-8H2,1-4H3
InChIKeyFOYRIPIFHOSIAV-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.60
Rot. Bonds7

About 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol

1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 55111940) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID55111940
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCCCCCN(c1ncc(C(C)O)s1)C(C)C
InChIInChI=1S/C13H24N2OS/c1-5-6-7-8-15(10(2)3)13-14-9-12(17-13)11(4)16/h9-11,16H,5-8H2,1-4H3
InChIKeyFOYRIPIFHOSIAV-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol (CID 55111940) is 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol is CCCCCN(c1ncc(C(C)O)s1)C(C)C.
What is the InChIKey of 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is FOYRIPIFHOSIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-6-7-8-15(10(2)3)13-14-9-12(17-13)11(4)16/h9-11,16H,5-8H2,1-4H3.
What are the key properties of 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 256.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55111940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).