4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol

C13H22N2OS — CID 123644862

IUPAC4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol
SMILESCCN(CC)C1CCC(O)(c2cncs2)CC1
InChIInChI=1S/C13H22N2OS/c1-3-15(4-2)11-5-7-13(16,8-6-11)12-9-14-10-17-12/h9-11,16H,3-8H2,1-2H3
InChIKeyRFLLRAXCAOYYAP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.62
Rot. Bonds4

About 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol

4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol (PubChem CID 123644862) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol
PubChem CID123644862
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol
SMILESCCN(CC)C1CCC(O)(c2cncs2)CC1
InChIInChI=1S/C13H22N2OS/c1-3-15(4-2)11-5-7-13(16,8-6-11)12-9-14-10-17-12/h9-11,16H,3-8H2,1-2H3
InChIKeyRFLLRAXCAOYYAP-UHFFFAOYSA-N
XLogP2.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol?
The IUPAC name of 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol (CID 123644862) is 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol is CCN(CC)C1CCC(O)(c2cncs2)CC1.
What is the InChIKey of 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol?
The InChIKey is RFLLRAXCAOYYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-15(4-2)11-5-7-13(16,8-6-11)12-9-14-10-17-12/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol?
4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(1,3-thiazol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 123644862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).