4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one

C14H24N2O3S — CID 106380841

IUPAC4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCCC(OCC(O)CNCc2csc(=O)[nH]2)C1
InChIInChI=1S/C14H24N2O3S/c1-10-3-2-4-13(5-10)19-8-12(17)7-15-6-11-9-20-14(18)16-11/h9-10,12-13,15,17H,2-8H2,1H3,(H,16,18)
InChIKeyLTLQEAJVCHLBGT-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.48
Rot. Bonds7

About 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380841) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380841
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCCC(OCC(O)CNCc2csc(=O)[nH]2)C1
InChIInChI=1S/C14H24N2O3S/c1-10-3-2-4-13(5-10)19-8-12(17)7-15-6-11-9-20-14(18)16-11/h9-10,12-13,15,17H,2-8H2,1H3,(H,16,18)
InChIKeyLTLQEAJVCHLBGT-UHFFFAOYSA-N
XLogP1.48
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-hydroxy-3-octoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380697
4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380783
4-[[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380824
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-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381013
4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381045
4-[[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381056
4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381088

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380841) is 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is CC1CCCC(OCC(O)CNCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LTLQEAJVCHLBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10-3-2-4-13(5-10)19-8-12(17)7-15-6-11-9-20-14(18)16-11/h9-10,12-13,15,17H,2-8H2,1H3,(H,16,18).
What are the key properties of 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 300.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).