4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one

C12H20N2O3S — CID 106380814

IUPAC4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)COC2CCCC2)cs1
InChIInChI=1S/C12H20N2O3S/c15-10(7-17-11-3-1-2-4-11)6-13-5-9-8-18-12(16)14-9/h8,10-11,13,15H,1-7H2,(H,14,16)
InChIKeyJDKJOMITSBYLHH-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.85
Rot. Bonds7

About 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380814) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380814
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)COC2CCCC2)cs1
InChIInChI=1S/C12H20N2O3S/c15-10(7-17-11-3-1-2-4-11)6-13-5-9-8-18-12(16)14-9/h8,10-11,13,15H,1-7H2,(H,14,16)
InChIKeyJDKJOMITSBYLHH-UHFFFAOYSA-N
XLogP0.85
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380678
4-[[(2-hydroxy-3-octoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380697
4-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380716
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380748
4-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380752
4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380783
4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380816
4-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380842
4-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380872
4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380919
4-[[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380965
4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380996

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380814) is 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)COC2CCCC2)cs1.
What is the InChIKey of 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is JDKJOMITSBYLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c15-10(7-17-11-3-1-2-4-11)6-13-5-9-8-18-12(16)14-9/h8,10-11,13,15H,1-7H2,(H,14,16).
What are the key properties of 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 272.37 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).