[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol

C12H20N2OS — CID 103881440

IUPAC[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCC(CO)CC1)c1cscn1
InChIInChI=1S/C12H20N2OS/c1-9(12-7-16-8-13-12)14-11-4-2-10(6-15)3-5-11/h7-11,14-15H,2-6H2,1H3
InChIKeyPLXOZLYKJMNVAO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.34
Rot. Bonds4

About [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol

[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol (PubChem CID 103881440) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
PubChem CID103881440
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCC(CO)CC1)c1cscn1
InChIInChI=1S/C12H20N2OS/c1-9(12-7-16-8-13-12)14-11-4-2-10(6-15)3-5-11/h7-11,14-15H,2-6H2,1H3
InChIKeyPLXOZLYKJMNVAO-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol (CID 103881440) is [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol is CC(NC1CCC(CO)CC1)c1cscn1.
What is the InChIKey of [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol?
The InChIKey is PLXOZLYKJMNVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(12-7-16-8-13-12)14-11-4-2-10(6-15)3-5-11/h7-11,14-15H,2-6H2,1H3.
What are the key properties of [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol?
[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol has a molecular weight of 240.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 103881440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).