2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid

C12H9N3O2S2 — CID 115331257

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(SCc2cn3ccsc3n2)c1
InChIInChI=1S/C12H9N3O2S2/c16-11(17)8-1-2-13-10(5-8)19-7-9-6-15-3-4-18-12(15)14-9/h1-6H,7H2,(H,16,17)
InChIKeyDLCNYKWOAUDZPK-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.78
Rot. Bonds4

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid (PubChem CID 115331257) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid
PubChem CID115331257
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(SCc2cn3ccsc3n2)c1
InChIInChI=1S/C12H9N3O2S2/c16-11(17)8-1-2-13-10(5-8)19-7-9-6-15-3-4-18-12(15)14-9/h1-6H,7H2,(H,16,17)
InChIKeyDLCNYKWOAUDZPK-UHFFFAOYSA-N
XLogP2.78
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 64771602
2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid
CID 43409604
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 79772568
2-[(4-methoxyphenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 61300099
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
1-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanol
CID 115334609
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
CID 115334592
2-[(1-ethylpyrazol-4-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 55040990
4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332050
5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332020
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 52558692

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid (CID 115331257) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(SCc2cn3ccsc3n2)c1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid?
The InChIKey is DLCNYKWOAUDZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c16-11(17)8-1-2-13-10(5-8)19-7-9-6-15-3-4-18-12(15)14-9/h1-6H,7H2,(H,16,17).
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid has a molecular weight of 291.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115331257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).