2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole

C22H16N4O2S2 — CID 141189605

IUPAC2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESC1=CC(C2=C(c3ccc[nH]3)N=C(c3ncco3)S2(c2ccco2)c2cccs2)N=C1
InChIInChI=1S/C22H16N4O2S2/c1-5-15(23-9-1)19-20(16-6-2-10-24-16)30(17-7-3-12-27-17,18-8-4-14-29-18)22(26-19)21-25-11-13-28-21/h1-14,16,23H
InChIKeyGACHGJHJSFNZCU-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.72
Rot. Bonds5

About 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole

2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 141189605) has the molecular formula C22H16N4O2S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID141189605
Molecular FormulaC22H16N4O2S2
Molecular Weight432.53 g/mol
Exact Mass432.07
IUPAC Name2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESC1=CC(C2=C(c3ccc[nH]3)N=C(c3ncco3)S2(c2ccco2)c2cccs2)N=C1
InChIInChI=1S/C22H16N4O2S2/c1-5-15(23-9-1)19-20(16-6-2-10-24-16)30(17-7-3-12-27-17,18-8-4-14-29-18)22(26-19)21-25-11-13-28-21/h1-14,16,23H
InChIKeyGACHGJHJSFNZCU-UHFFFAOYSA-N
XLogP5.72
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 2459051
N-(2-furylmethyl)-N-(3-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 46985690
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 141039475
2-[[1-methyl-2-(1,2-oxazol-3-ylmethyl)-5-(1H-pyrrol-2-ylmethyl)-1-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole
CID 141088242
2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141107824
2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141428487
2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 156779601
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157441369
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157532559
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157532914
Ethane;methane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methylthiophene;3-methylthiophene
CID 157838066
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157878270

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole (CID 141189605) is 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole is C1=CC(C2=C(c3ccc[nH]3)N=C(c3ncco3)S2(c2ccco2)c2cccs2)N=C1.
What is the InChIKey of 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is GACHGJHJSFNZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S2/c1-5-15(23-9-1)19-20(16-6-2-10-24-16)30(17-7-3-12-27-17,18-8-4-14-29-18)22(26-19)21-25-11-13-28-21/h1-14,16,23H.
What are the key properties of 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 432.53 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 141189605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).