2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole

C14H15N3OS — CID 2372900

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccco3)cs2)n1
InChIInChI=1S/C14H15N3OS/c1-10-8-11(2)17(16-10)6-5-14-15-12(9-19-14)13-4-3-7-18-13/h3-4,7-9H,5-6H2,1-2H3
InChIKeyZYJFPYFQAUUEJB-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.46
Rot. Bonds4

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole (PubChem CID 2372900) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole
PubChem CID2372900
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccco3)cs2)n1
InChIInChI=1S/C14H15N3OS/c1-10-8-11(2)17(16-10)6-5-14-15-12(9-19-14)13-4-3-7-18-13/h3-4,7-9H,5-6H2,1-2H3
InChIKeyZYJFPYFQAUUEJB-UHFFFAOYSA-N
XLogP3.46
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole (CID 2372900) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole is Cc1cc(C)n(CCc2nc(-c3ccco3)cs2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole?
The InChIKey is ZYJFPYFQAUUEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-8-11(2)17(16-10)6-5-14-15-12(9-19-14)13-4-3-7-18-13/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole has a molecular weight of 273.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole is sourced from PubChem (CID 2372900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).