2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid

C10H12N2O2S — CID 82062252

IUPAC2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
SMILESCC(C)c1csc2ncc(CC(=O)O)n12
InChIInChI=1S/C10H12N2O2S/c1-6(2)8-5-15-10-11-4-7(12(8)10)3-9(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyNTWXUTIGBQSJKQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.15
Rot. Bonds3

About 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid

2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid (PubChem CID 82062252) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
PubChem CID82062252
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
SMILESCC(C)c1csc2ncc(CC(=O)O)n12
InChIInChI=1S/C10H12N2O2S/c1-6(2)8-5-15-10-11-4-7(12(8)10)3-9(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyNTWXUTIGBQSJKQ-UHFFFAOYSA-N
XLogP2.15
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(imidazo(2,1-b)(1,3)thiazol-6-yl)acetate
CID 853574
2-(Imidazo(2,1-b)(1,3)thiazol-6-yl)acetic acid
CID 3157493
2-(6-Methylimidazo(2,1-b)(1,3)thiazol-3-yl)acetic acid
CID 12461970
2-(3-Methylimidazo(2,1-b)(1,3)thiazol-6-yl)acetic acid
CID 12312080
2-(2-Methylimidazo(2,1-b)(1,3)thiazol-6-yl)acetic acid
CID 39197653
2-{Imidazo[2,1-b][1,3]thiazol-3-yl}acetic acid
CID 43612195
2-{Imidazo[4,3-b][1,3]thiazol-3-yl}acetic acid
CID 82407890
(2Z)-imidazo[2,1-b][1,3]thiazol-6-yl(methoxyimino)ethanoic acid
CID 6374361
2-Imidazo[2,1-b][1,3]thiazol-5-ylacetic acid
CID 82407893
2-[6-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 43535920
Ethyl 2-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43535921
3-[6-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
CID 81496060

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid (CID 82062252) is 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid is CC(C)c1csc2ncc(CC(=O)O)n12.
What is the InChIKey of 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The InChIKey is NTWXUTIGBQSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(2)8-5-15-10-11-4-7(12(8)10)3-9(13)14/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid has a molecular weight of 224.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid is sourced from PubChem (CID 82062252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).