2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid

C8H8N2O2S — CID 39197653

IUPAC2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid
SMILESCc1cn2cc(CC(=O)O)nc2s1
InChIInChI=1S/C8H8N2O2S/c1-5-3-10-4-6(2-7(11)12)9-8(10)13-5/h3-4H,2H2,1H3,(H,11,12)
InChIKeyDMFXCYUDQZPWFQ-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.33
Rot. Bonds2

About 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid

2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid (PubChem CID 39197653) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid
PubChem CID39197653
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid
SMILESCc1cn2cc(CC(=O)O)nc2s1
InChIInChI=1S/C8H8N2O2S/c1-5-3-10-4-6(2-7(11)12)9-8(10)13-5/h3-4H,2H2,1H3,(H,11,12)
InChIKeyDMFXCYUDQZPWFQ-UHFFFAOYSA-N
XLogP1.33
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid (CID 39197653) is 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid is Cc1cn2cc(CC(=O)O)nc2s1.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid?
The InChIKey is DMFXCYUDQZPWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-5-3-10-4-6(2-7(11)12)9-8(10)13-5/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid?
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid has a molecular weight of 196.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid is sourced from PubChem (CID 39197653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).