2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole

C17H15NO2S2 — CID 71878523

IUPAC2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole
SMILESO=S(CC=Cc1ccccc1)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C17H15NO2S2/c19-22(11-5-8-14-6-2-1-3-7-14)13-15-12-21-17(18-15)16-9-4-10-20-16/h1-10,12H,11,13H2
InChIKeyIJFHHJNPRZDGSV-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.37
Rot. Bonds6

About 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole

2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole (PubChem CID 71878523) has the molecular formula C17H15NO2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole
PubChem CID71878523
Molecular FormulaC17H15NO2S2
Molecular Weight329.45 g/mol
Exact Mass329.05
IUPAC Name2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole
SMILESO=S(CC=Cc1ccccc1)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C17H15NO2S2/c19-22(11-5-8-14-6-2-1-3-7-14)13-15-12-21-17(18-15)16-9-4-10-20-16/h1-10,12H,11,13H2
InChIKeyIJFHHJNPRZDGSV-UHFFFAOYSA-N
XLogP4.37
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-4-[[(E)-3-phenylprop-2-enyl]sulfinylmethyl]-1,3-thiazole
CID 75364758
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(3-methylphenyl)acetamide
CID 42892126
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 99779339
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine
CID 91944167
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole (CID 71878523) is 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole is O=S(CC=Cc1ccccc1)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole?
The InChIKey is IJFHHJNPRZDGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S2/c19-22(11-5-8-14-6-2-1-3-7-14)13-15-12-21-17(18-15)16-9-4-10-20-16/h1-10,12H,11,13H2.
What are the key properties of 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole?
2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole has a molecular weight of 329.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(3-phenylprop-2-enylsulfinylmethyl)-1,3-thiazole is sourced from PubChem (CID 71878523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).