4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one

C10H16N2O2S — CID 106381031

IUPAC4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CN[C@@H]2CCCC[C@H]2O)cs1
InChIInChI=1S/C10H16N2O2S/c13-9-4-2-1-3-8(9)11-5-7-6-15-10(14)12-7/h6,8-9,11,13H,1-5H2,(H,12,14)/t8-,9-/m1/s1
InChIKeyWGAARZODKIRGBW-RKDXNWHRSA-N
MW228.32 g/mol
LogP0.83
Rot. Bonds3

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

4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381031) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381031
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CN[C@@H]2CCCC[C@H]2O)cs1
InChIInChI=1S/C10H16N2O2S/c13-9-4-2-1-3-8(9)11-5-7-6-15-10(14)12-7/h6,8-9,11,13H,1-5H2,(H,12,14)/t8-,9-/m1/s1
InChIKeyWGAARZODKIRGBW-RKDXNWHRSA-N
XLogP0.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106381031) is 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CN[C@@H]2CCCC[C@H]2O)cs1.
What is the InChIKey of 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WGAARZODKIRGBW-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-9-4-2-1-3-8(9)11-5-7-6-15-10(14)12-7/h6,8-9,11,13H,1-5H2,(H,12,14)/t8-,9-/m1/s1.
What are the key properties of 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).