2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol

C13H24N2OS — CID 62015413

IUPAC2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1csc(CCC)n1
InChIInChI=1S/C13H24N2OS/c1-3-5-7-15(8-9-16)10-12-11-17-13(14-12)6-4-2/h11,16H,3-10H2,1-2H3
InChIKeyUNJMPBIINIETSN-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.69
Rot. Bonds9

About 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol

2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol (PubChem CID 62015413) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
PubChem CID62015413
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1csc(CCC)n1
InChIInChI=1S/C13H24N2OS/c1-3-5-7-15(8-9-16)10-12-11-17-13(14-12)6-4-2/h11,16H,3-10H2,1-2H3
InChIKeyUNJMPBIINIETSN-UHFFFAOYSA-N
XLogP2.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol (CID 62015413) is 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol is CCCCN(CCO)Cc1csc(CCC)n1.
What is the InChIKey of 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The InChIKey is UNJMPBIINIETSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-5-7-15(8-9-16)10-12-11-17-13(14-12)6-4-2/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol has a molecular weight of 256.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 62015413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).