2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid

C13H13N3O2S — CID 98019202

IUPAC2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESCc1nc2scc(-c3ccn(C)c3)n2c1CC(=O)O
InChIInChI=1S/C13H13N3O2S/c1-8-10(5-12(17)18)16-11(7-19-13(16)14-8)9-3-4-15(2)6-9/h3-4,6-7H,5H2,1-2H3,(H,17,18)
InChIKeyRGOFDGDURXTPOU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.34
Rot. Bonds3

About 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid

2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (PubChem CID 98019202) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
PubChem CID98019202
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESCc1nc2scc(-c3ccn(C)c3)n2c1CC(=O)O
InChIInChI=1S/C13H13N3O2S/c1-8-10(5-12(17)18)16-11(7-19-13(16)14-8)9-3-4-15(2)6-9/h3-4,6-7H,5H2,1-2H3,(H,17,18)
InChIKeyRGOFDGDURXTPOU-UHFFFAOYSA-N
XLogP2.34
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,4-dimethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062331
2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327
2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062382
2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596
2-[6-(furan-2-yl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062379
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194860
[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196762
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 155809201
2-(1-methylpyrrol-3-yl)acetic acid
CID 26722643
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
CID 98022499

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The IUPAC name of 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (CID 98019202) is 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is Cc1nc2scc(-c3ccn(C)c3)n2c1CC(=O)O.
What is the InChIKey of 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The InChIKey is RGOFDGDURXTPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-10(5-12(17)18)16-11(7-19-13(16)14-8)9-3-4-15(2)6-9/h3-4,6-7H,5H2,1-2H3,(H,17,18).
What are the key properties of 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid has a molecular weight of 275.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-(1-methylpyrrol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is sourced from PubChem (CID 98019202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).