2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole

C17H16N4OS2 — CID 91100512

IUPAC2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole
SMILESc1coc(CC(Cc2ccn[nH]2)(Cc2nccs2)c2ccsn2)c1
InChIInChI=1S/C17H16N4OS2/c1-2-14(22-7-1)11-17(15-4-8-24-21-15,10-13-3-5-19-20-13)12-16-18-6-9-23-16/h1-9H,10-12H2,(H,19,20)
InChIKeyRHWUUGKSCKENNP-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.88
Rot. Bonds7

About 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole

2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole (PubChem CID 91100512) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole
PubChem CID91100512
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole
SMILESc1coc(CC(Cc2ccn[nH]2)(Cc2nccs2)c2ccsn2)c1
InChIInChI=1S/C17H16N4OS2/c1-2-14(22-7-1)11-17(15-4-8-24-21-15,10-13-3-5-19-20-13)12-16-18-6-9-23-16/h1-9H,10-12H2,(H,19,20)
InChIKeyRHWUUGKSCKENNP-UHFFFAOYSA-N
XLogP3.88
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole with MolForge

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Related Compounds

2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole
CID 141023326
4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyridine
CID 141307333
5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-pyrazole
CID 141330938
5-[4-(furan-2-yl)-3-(1H-pyrrol-2-yl)thiophen-2-yl]-1H-pyrazole
CID 141396036
2-[[5-(furan-2-yl)-1H-pyrazol-4-yl]-[4-(4-methoxyphenyl)phenyl]methyl]-1,3-thiazole
CID 142677876
2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 159234693
2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 159979213
2-tert-butyl-5-[2-[2-[2-(furan-2-yl)-2-methylpropyl]-1H-pyrazol-2-ium-5-yl]-2-methylpropyl]-1,3-thiazole
CID 169817079
2-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 45229826
1-phenyl-N-{[5-(1H-pyrazol-5-yl)-2-furyl]methyl}-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 46998424
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 49466023
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole?
The IUPAC name of 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole (CID 91100512) is 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole is c1coc(CC(Cc2ccn[nH]2)(Cc2nccs2)c2ccsn2)c1.
What is the InChIKey of 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole?
The InChIKey is RHWUUGKSCKENNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-2-14(22-7-1)11-17(15-4-8-24-21-15,10-13-3-5-19-20-13)12-16-18-6-9-23-16/h1-9H,10-12H2,(H,19,20).
What are the key properties of 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole?
2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole has a molecular weight of 356.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole is sourced from PubChem (CID 91100512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).