2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide

C10H13BrN2O2S — CID 67406259

IUPAC2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide
SMILESBr.CCC(C(=O)O)c1cn2cc(C)sc2n1
InChIInChI=1S/C10H12N2O2S.BrH/c1-3-7(9(13)14)8-5-12-4-6(2)15-10(12)11-8;/h4-5,7H,3H2,1-2H3,(H,13,14);1H
InChIKeyOSUVAAUKBRATJE-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.86
Rot. Bonds3

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

2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide (PubChem CID 67406259) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide
PubChem CID67406259
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide
SMILESBr.CCC(C(=O)O)c1cn2cc(C)sc2n1
InChIInChI=1S/C10H12N2O2S.BrH/c1-3-7(9(13)14)8-5-12-4-6(2)15-10(12)11-8;/h4-5,7H,3H2,1-2H3,(H,13,14);1H
InChIKeyOSUVAAUKBRATJE-UHFFFAOYSA-N
XLogP2.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.86
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
3-(6-Methylimidazo[2,1-b]thiazol-3-yl)propanoic acid
CID 52904010
(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
2,2-Difluoro-1-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}cyclopropane-1-carboxylic acid
CID 165842874
(2Z)-2-hydroxyimino-2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid
CID 6882303
(2-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid
CID 12312082
2-{Imidazo[2,1-b][1,3]thiazol-6-yl}propanoic acid
CID 12382128

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide (CID 67406259) is 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide is Br.CCC(C(=O)O)c1cn2cc(C)sc2n1.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide?
The InChIKey is OSUVAAUKBRATJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S.BrH/c1-3-7(9(13)14)8-5-12-4-6(2)15-10(12)11-8;/h4-5,7H,3H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide?
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide has a molecular weight of 305.20 g/mol, XLogP of 2.86, 3 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)butanoic acid;hydrobromide is sourced from PubChem (CID 67406259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).