5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole

C13H15N5S — CID 89480170

IUPAC5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole
SMILESCCC(c1ncc[nH]1)c1cnc(-c2ccn(C)n2)s1
InChIInChI=1S/C13H15N5S/c1-3-9(12-14-5-6-15-12)11-8-16-13(19-11)10-4-7-18(2)17-10/h4-9H,3H2,1-2H3,(H,14,15)
InChIKeyOLZWMBGDMZOZQZ-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.81
Rot. Bonds4

About 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole

5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole (PubChem CID 89480170) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole
PubChem CID89480170
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole
SMILESCCC(c1ncc[nH]1)c1cnc(-c2ccn(C)n2)s1
InChIInChI=1S/C13H15N5S/c1-3-9(12-14-5-6-15-12)11-8-16-13(19-11)10-4-7-18(2)17-10/h4-9H,3H2,1-2H3,(H,14,15)
InChIKeyOLZWMBGDMZOZQZ-UHFFFAOYSA-N
XLogP2.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole?
The IUPAC name of 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole (CID 89480170) is 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole?
The canonical SMILES for 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole is CCC(c1ncc[nH]1)c1cnc(-c2ccn(C)n2)s1.
What is the InChIKey of 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole?
The InChIKey is OLZWMBGDMZOZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-3-9(12-14-5-6-15-12)11-8-16-13(19-11)10-4-7-18(2)17-10/h4-9H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole?
5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole has a molecular weight of 273.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-2-yl)propyl]-2-(1-methylpyrazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 89480170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).