(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol

C21H24N2OS — CID 137499636

IUPAC(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol
SMILESO[C@H](c1c(C2CC2)sc2cncn12)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H24N2OS/c24-20(16-8-6-15(7-9-16)14-4-2-1-3-5-14)19-21(17-10-11-17)25-18-12-22-13-23(18)19/h1-5,12-13,15-17,20,24H,6-11H2/t15?,16?,20-/m0/s1
InChIKeyRWWNNBYLZPFMCY-PMTKGXAQSA-N
MW352.50 g/mol
LogP5.28
Rot. Bonds4

About (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol

(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol (PubChem CID 137499636) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol.

Molecular Properties

Compound Name(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol
PubChem CID137499636
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol
SMILESO[C@H](c1c(C2CC2)sc2cncn12)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H24N2OS/c24-20(16-8-6-15(7-9-16)14-4-2-1-3-5-14)19-21(17-10-11-17)25-18-12-22-13-23(18)19/h1-5,12-13,15-17,20,24H,6-11H2/t15?,16?,20-/m0/s1
InChIKeyRWWNNBYLZPFMCY-PMTKGXAQSA-N
XLogP5.28
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol?
The IUPAC name of (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol (CID 137499636) is (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol.
What is the SMILES notation for (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol?
The canonical SMILES for (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol is O[C@H](c1c(C2CC2)sc2cncn12)C1CCC(c2ccccc2)CC1.
What is the InChIKey of (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol?
The InChIKey is RWWNNBYLZPFMCY-PMTKGXAQSA-N. The full InChI is InChI=1S/C21H24N2OS/c24-20(16-8-6-15(7-9-16)14-4-2-1-3-5-14)19-21(17-10-11-17)25-18-12-22-13-23(18)19/h1-5,12-13,15-17,20,24H,6-11H2/t15?,16?,20-/m0/s1.
What are the key properties of (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol?
(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol has a molecular weight of 352.50 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol is sourced from PubChem (CID 137499636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).