1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

C17H26N2OS — CID 115828251

IUPAC1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESCCCCC1CCC(C(O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C17H26N2OS/c1-2-3-4-13-5-7-14(8-6-13)16(20)11-15-12-19-9-10-21-17(19)18-15/h9-10,12-14,16,20H,2-8,11H2,1H3
InChIKeyVTUGXXNGNOFZMG-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.30
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (PubChem CID 115828251) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
PubChem CID115828251
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESCCCCC1CCC(C(O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C17H26N2OS/c1-2-3-4-13-5-7-14(8-6-13)16(20)11-15-12-19-9-10-21-17(19)18-15/h9-10,12-14,16,20H,2-8,11H2,1H3
InChIKeyVTUGXXNGNOFZMG-UHFFFAOYSA-N
XLogP4.30
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The IUPAC name of 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (CID 115828251) is 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is CCCCC1CCC(C(O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The InChIKey is VTUGXXNGNOFZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-3-4-13-5-7-14(8-6-13)16(20)11-15-12-19-9-10-21-17(19)18-15/h9-10,12-14,16,20H,2-8,11H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol has a molecular weight of 306.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is sourced from PubChem (CID 115828251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).