3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole

C13H12N2S — CID 139241043

IUPAC3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2c(C)c(-c3ccccc3)sc2n1
InChIInChI=1S/C13H12N2S/c1-9-8-15-10(2)12(16-13(15)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyPYVWSOKYRXKIHR-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.68
Rot. Bonds1

About 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole

3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 139241043) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID139241043
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2c(C)c(-c3ccccc3)sc2n1
InChIInChI=1S/C13H12N2S/c1-9-8-15-10(2)12(16-13(15)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyPYVWSOKYRXKIHR-UHFFFAOYSA-N
XLogP3.68
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole (CID 139241043) is 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole is Cc1cn2c(C)c(-c3ccccc3)sc2n1.
What is the InChIKey of 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is PYVWSOKYRXKIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-8-15-10(2)12(16-13(15)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole?
3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 228.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139241043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).