5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole

C13H12N4S — CID 59385059

IUPAC5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole
SMILESCCc1[nH]c(-c2cncs2)nc1-c1cccnc1
InChIInChI=1S/C13H12N4S/c1-2-10-12(9-4-3-5-14-6-9)17-13(16-10)11-7-15-8-18-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyMHMXLSUIMWFJSY-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.16
Rot. Bonds3

About 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole

5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole (PubChem CID 59385059) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole
PubChem CID59385059
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole
SMILESCCc1[nH]c(-c2cncs2)nc1-c1cccnc1
InChIInChI=1S/C13H12N4S/c1-2-10-12(9-4-3-5-14-6-9)17-13(16-10)11-7-15-8-18-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyMHMXLSUIMWFJSY-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole?
The IUPAC name of 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole (CID 59385059) is 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole is CCc1[nH]c(-c2cncs2)nc1-c1cccnc1.
What is the InChIKey of 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole?
The InChIKey is MHMXLSUIMWFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-10-12(9-4-3-5-14-6-9)17-13(16-10)11-7-15-8-18-11/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole?
5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole has a molecular weight of 256.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 59385059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).