2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole

C13H9N5OS — CID 141169678

IUPAC2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
SMILESc1coc(-c2c(-c3ncc[nH]3)n[nH]c2-c2nccs2)c1
InChIInChI=1S/C13H9N5OS/c1-2-8(19-6-1)9-10(12-14-3-4-15-12)17-18-11(9)13-16-5-7-20-13/h1-7H,(H,14,15)(H,17,18)
InChIKeySMERXVNDVHEXBZ-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.18
Rot. Bonds3

About 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole

2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole (PubChem CID 141169678) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
PubChem CID141169678
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
SMILESc1coc(-c2c(-c3ncc[nH]3)n[nH]c2-c2nccs2)c1
InChIInChI=1S/C13H9N5OS/c1-2-8(19-6-1)9-10(12-14-3-4-15-12)17-18-11(9)13-16-5-7-20-13/h1-7H,(H,14,15)(H,17,18)
InChIKeySMERXVNDVHEXBZ-UHFFFAOYSA-N
XLogP3.18
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 140993860
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-pyrimidin-2-yl-3H-pyrrol-4-yl]-1,3-thiazole
CID 140998060
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazole
CID 141004623
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(2H-pyran-2-yl)-1-thiophen-2-ylpyrazole
CID 141005015
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-ylpyrazol-3-yl]-1,3-thiazole
CID 141013788
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-thiophen-2-yl-3-pyridinyl]-1,3-thiazole
CID 141017837
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2H-pyrimidin-4-yl]-1,3-thiazole
CID 141031533
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-thiophen-2-yl-1H-pyrazole
CID 141042261
4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-yl-1,3-oxazolidine
CID 141071918
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole
CID 141072642
2-[5-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-2-thiophen-2-yl-4-(triazin-4-yl)-1-(2H-triazol-4-yl)-4H-pyrimidin-3-yl]-1,3-thiazole
CID 141126487
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole
CID 141145252

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole (CID 141169678) is 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole is c1coc(-c2c(-c3ncc[nH]3)n[nH]c2-c2nccs2)c1.
What is the InChIKey of 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole?
The InChIKey is SMERXVNDVHEXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-2-8(19-6-1)9-10(12-14-3-4-15-12)17-18-11(9)13-16-5-7-20-13/h1-7H,(H,14,15)(H,17,18).
What are the key properties of 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole?
2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole has a molecular weight of 283.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 141169678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).