3-methylimidazo[2,1-b][1,3]thiazole

C6H6N2S — CID 19964830

IUPAC3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nccn12
InChIInChI=1S/C6H6N2S/c1-5-4-9-6-7-2-3-8(5)6/h2-4H,1H3
InChIKeySJBRBCLOEVPYQW-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.70
Rot. Bonds

About 3-methylimidazo[2,1-b][1,3]thiazole

3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 19964830) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID19964830
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nccn12
InChIInChI=1S/C6H6N2S/c1-5-4-9-6-7-2-3-8(5)6/h2-4H,1H3
InChIKeySJBRBCLOEVPYQW-UHFFFAOYSA-N
XLogP1.70
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-methylimidazo[2,1-b][1,3]thiazole (CID 19964830) is 3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-methylimidazo[2,1-b][1,3]thiazole is Cc1csc2nccn12.
What is the InChIKey of 3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is SJBRBCLOEVPYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-5-4-9-6-7-2-3-8(5)6/h2-4H,1H3.
What are the key properties of 3-methylimidazo[2,1-b][1,3]thiazole?
3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 138.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 19964830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).