[2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid

C12H18N2O3S — CID 70984754

IUPAC[2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid
SMILESCC(O)(c1nccs1)C1CCCCC1NC(=O)O
InChIInChI=1S/C12H18N2O3S/c1-12(17,10-13-6-7-18-10)8-4-2-3-5-9(8)14-11(15)16/h6-9,14,17H,2-5H2,1H3,(H,15,16)
InChIKeyXQMPNSWUHMCCMU-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.18
Rot. Bonds3

About [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid

[2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid (PubChem CID 70984754) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid
PubChem CID70984754
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name[2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid
SMILESCC(O)(c1nccs1)C1CCCCC1NC(=O)O
InChIInChI=1S/C12H18N2O3S/c1-12(17,10-13-6-7-18-10)8-4-2-3-5-9(8)14-11(15)16/h6-9,14,17H,2-5H2,1H3,(H,15,16)
InChIKeyXQMPNSWUHMCCMU-UHFFFAOYSA-N
XLogP2.18
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid?
The IUPAC name of [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid (CID 70984754) is [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid?
The canonical SMILES for [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid is CC(O)(c1nccs1)C1CCCCC1NC(=O)O.
What is the InChIKey of [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid?
The InChIKey is XQMPNSWUHMCCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(17,10-13-6-7-18-10)8-4-2-3-5-9(8)14-11(15)16/h6-9,14,17H,2-5H2,1H3,(H,15,16).
What are the key properties of [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid?
[2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid has a molecular weight of 270.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 70984754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).