3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid

C8H7ClN2O2S — CID 45490121

IUPAC3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
SMILESO=C(O)CCc1cn2cc(Cl)sc2n1
InChIInChI=1S/C8H7ClN2O2S/c9-6-4-11-3-5(1-2-7(12)13)10-8(11)14-6/h3-4H,1-2H2,(H,12,13)
InChIKeyWWWQYGQNWMJQJL-UHFFFAOYSA-N
MW230.68 g/mol
LogP2.07
Rot. Bonds3

About 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid

3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid (PubChem CID 45490121) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
PubChem CID45490121
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
SMILESO=C(O)CCc1cn2cc(Cl)sc2n1
InChIInChI=1S/C8H7ClN2O2S/c9-6-4-11-3-5(1-2-7(12)13)10-8(11)14-6/h3-4H,1-2H2,(H,12,13)
InChIKeyWWWQYGQNWMJQJL-UHFFFAOYSA-N
XLogP2.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[6-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
CID 81496060
(2-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid
CID 12312082
2-(2-Methylimidazo[2,1-b]thiazol-6-yl)acetic acid hydrochloride
CID 67405889
2-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid
CID 67405914
2-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid;hydrobromide
CID 67406259
2-(6-Methylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3908612
2-(6-Cyclopropylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3962113
3-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
CID 4912967
Ethyl 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoate
CID 13789783
3-(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)propanoic acid
CID 39194717

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The IUPAC name of 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid (CID 45490121) is 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid.
What is the SMILES notation for 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The canonical SMILES for 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid is O=C(O)CCc1cn2cc(Cl)sc2n1.
What is the InChIKey of 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The InChIKey is WWWQYGQNWMJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c9-6-4-11-3-5(1-2-7(12)13)10-8(11)14-6/h3-4H,1-2H2,(H,12,13).
What are the key properties of 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid has a molecular weight of 230.68 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid is sourced from PubChem (CID 45490121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).