(2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol

C20H30N2OS — CID 166769475

IUPAC(2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
SMILESCC(C)(C)C1CCC([C@H](CO)c2c(C3CC3)sc3cncn23)CC1
InChIInChI=1S/C20H30N2OS/c1-20(2,3)15-8-6-13(7-9-15)16(11-23)18-19(14-4-5-14)24-17-10-21-12-22(17)18/h10,12-16,23H,4-9,11H2,1-3H3/t13?,15?,16-/m0/s1
InChIKeyINRPJFVVADIDBP-BCLQGDPASA-N
MW346.54 g/mol
LogP5.20
Rot. Bonds4

About (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol

(2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol (PubChem CID 166769475) has the molecular formula C20H30N2OS and a molecular weight of 346.54 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
PubChem CID166769475
Molecular FormulaC20H30N2OS
Molecular Weight346.54 g/mol
Exact Mass346.21
IUPAC Name(2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
SMILESCC(C)(C)C1CCC([C@H](CO)c2c(C3CC3)sc3cncn23)CC1
InChIInChI=1S/C20H30N2OS/c1-20(2,3)15-8-6-13(7-9-15)16(11-23)18-19(14-4-5-14)24-17-10-21-12-22(17)18/h10,12-16,23H,4-9,11H2,1-3H3/t13?,15?,16-/m0/s1
InChIKeyINRPJFVVADIDBP-BCLQGDPASA-N
XLogP5.20
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol?
The IUPAC name of (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol (CID 166769475) is (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol.
What is the SMILES notation for (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol?
The canonical SMILES for (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol is CC(C)(C)C1CCC([C@H](CO)c2c(C3CC3)sc3cncn23)CC1.
What is the InChIKey of (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol?
The InChIKey is INRPJFVVADIDBP-BCLQGDPASA-N. The full InChI is InChI=1S/C20H30N2OS/c1-20(2,3)15-8-6-13(7-9-15)16(11-23)18-19(14-4-5-14)24-17-10-21-12-22(17)18/h10,12-16,23H,4-9,11H2,1-3H3/t13?,15?,16-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol?
(2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol has a molecular weight of 346.54 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol is sourced from PubChem (CID 166769475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).