(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol

C12H9ClN2OS — CID 50878423

IUPAC(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
SMILESOCc1c(-c2ccccc2)nc2sc(Cl)cn12
InChIInChI=1S/C12H9ClN2OS/c13-10-6-15-9(7-16)11(14-12(15)17-10)8-4-2-1-3-5-8/h1-6,16H,7H2
InChIKeyNJHAJOQSDZPIRK-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.21
Rot. Bonds2

About (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol

(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol (PubChem CID 50878423) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
PubChem CID50878423
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
SMILESOCc1c(-c2ccccc2)nc2sc(Cl)cn12
InChIInChI=1S/C12H9ClN2OS/c13-10-6-15-9(7-16)11(14-12(15)17-10)8-4-2-1-3-5-8/h1-6,16H,7H2
InChIKeyNJHAJOQSDZPIRK-UHFFFAOYSA-N
XLogP3.21
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol?
The IUPAC name of (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol (CID 50878423) is (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol?
The canonical SMILES for (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol is OCc1c(-c2ccccc2)nc2sc(Cl)cn12.
What is the InChIKey of (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol?
The InChIKey is NJHAJOQSDZPIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-10-6-15-9(7-16)11(14-12(15)17-10)8-4-2-1-3-5-8/h1-6,16H,7H2.
What are the key properties of (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol?
(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol has a molecular weight of 264.74 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol is sourced from PubChem (CID 50878423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).