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

C13H22N2O3S — CID 106380783

IUPAC4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)COC2CCCCC2)cs1
InChIInChI=1S/C13H22N2O3S/c16-11(8-18-12-4-2-1-3-5-12)7-14-6-10-9-19-13(17)15-10/h9,11-12,14,16H,1-8H2,(H,15,17)
InChIKeyKDGNRTXJCSCIDK-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.24
Rot. Bonds7

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

4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380783) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380783
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)COC2CCCCC2)cs1
InChIInChI=1S/C13H22N2O3S/c16-11(8-18-12-4-2-1-3-5-12)7-14-6-10-9-19-13(17)15-10/h9,11-12,14,16H,1-8H2,(H,15,17)
InChIKeyKDGNRTXJCSCIDK-UHFFFAOYSA-N
XLogP1.24
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.24
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-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380814
4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380816
4-[[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380824
4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380841
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-[[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380965

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380783) is 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)COC2CCCCC2)cs1.
What is the InChIKey of 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KDGNRTXJCSCIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c16-11(8-18-12-4-2-1-3-5-12)7-14-6-10-9-19-13(17)15-10/h9,11-12,14,16H,1-8H2,(H,15,17).
What are the key properties of 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 286.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).