1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

C14H20N2OS — CID 115332915

IUPAC1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESOC(Cc1cn2ccsc2n1)C1CCCCCC1
InChIInChI=1S/C14H20N2OS/c17-13(11-5-3-1-2-4-6-11)9-12-10-16-7-8-18-14(16)15-12/h7-8,10-11,13,17H,1-6,9H2
InChIKeyUVDWENTXCPARJY-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.27
Rot. Bonds3

About 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (PubChem CID 115332915) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.

Molecular Properties

Compound Name1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
PubChem CID115332915
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESOC(Cc1cn2ccsc2n1)C1CCCCCC1
InChIInChI=1S/C14H20N2OS/c17-13(11-5-3-1-2-4-6-11)9-12-10-16-7-8-18-14(16)15-12/h7-8,10-11,13,17H,1-6,9H2
InChIKeyUVDWENTXCPARJY-UHFFFAOYSA-N
XLogP3.27
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The IUPAC name of 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (CID 115332915) is 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.
What is the SMILES notation for 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The canonical SMILES for 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is OC(Cc1cn2ccsc2n1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The InChIKey is UVDWENTXCPARJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-13(11-5-3-1-2-4-6-11)9-12-10-16-7-8-18-14(16)15-12/h7-8,10-11,13,17H,1-6,9H2.
What are the key properties of 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol has a molecular weight of 264.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is sourced from PubChem (CID 115332915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).