2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol

C11H13ClN2OS — CID 79334066

IUPAC2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
SMILESCC(C)C(=Cc1c(Cl)nc2sccn12)CO
InChIInChI=1S/C11H13ClN2OS/c1-7(2)8(6-15)5-9-10(12)13-11-14(9)3-4-16-11/h3-5,7,15H,6H2,1-2H3
InChIKeySRBGLCILSOIDSN-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.08
Rot. Bonds3

About 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol (PubChem CID 79334066) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
PubChem CID79334066
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
SMILESCC(C)C(=Cc1c(Cl)nc2sccn12)CO
InChIInChI=1S/C11H13ClN2OS/c1-7(2)8(6-15)5-9-10(12)13-11-14(9)3-4-16-11/h3-5,7,15H,6H2,1-2H3
InChIKeySRBGLCILSOIDSN-UHFFFAOYSA-N
XLogP3.08
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol?
The IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol (CID 79334066) is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol is CC(C)C(=Cc1c(Cl)nc2sccn12)CO.
What is the InChIKey of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol?
The InChIKey is SRBGLCILSOIDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7(2)8(6-15)5-9-10(12)13-11-14(9)3-4-16-11/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol?
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol has a molecular weight of 256.76 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol is sourced from PubChem (CID 79334066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).