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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole
CID 76912976
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal
CID 79330598
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79324353
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79339901
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339051
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 47163397
(E)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 94187219
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyanoprop-2-enoic acid
CID 43132250
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339746
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861432
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115409962
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1-cyclopropylethyl)prop-2-enamide
CID 47113826

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).