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

C14H24N2O3S — CID 106381045

IUPAC4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCCCC1OCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C14H24N2O3S/c1-10-4-2-3-5-13(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)
InChIKeySFXLNHBIVPGPIC-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.48
Rot. Bonds7

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

4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381045) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381045
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCCCC1OCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C14H24N2O3S/c1-10-4-2-3-5-13(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)
InChIKeySFXLNHBIVPGPIC-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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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106381045) is 4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is CC1CCCCC1OCC(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SFXLNHBIVPGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10-4-2-3-5-13(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-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-hydroxy-3-(2-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-(2-methylcyclohexyl)oxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).