furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene

C27H30N8O3S2 — CID 159475149

IUPACfuran;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;2*1-3H,(H,4,5);3*1-3H
InChIKeyLWHCGJBSPRRBCV-UHFFFAOYSA-N
MW578.72 g/mol
LogP7.35
Rot. Bonds

About furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene

furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene (PubChem CID 159475149) has the molecular formula C27H30N8O3S2 and a molecular weight of 578.72 g/mol. Its IUPAC name is furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namefuran;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene
PubChem CID159475149
Molecular FormulaC27H30N8O3S2
Molecular Weight578.72 g/mol
Exact Mass578.19
IUPAC Namefuran;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;2*1-3H,(H,4,5);3*1-3H
InChIKeyLWHCGJBSPRRBCV-UHFFFAOYSA-N
XLogP7.35
TPSA151.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene?
The IUPAC name of furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene (CID 159475149) is furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene.
What is the SMILES notation for furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene?
The canonical SMILES for furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene is c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1.
What is the InChIKey of furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene?
The InChIKey is LWHCGJBSPRRBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.C3H3NS/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;2*1-3H,(H,4,5);3*1-3H.
What are the key properties of furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene?
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene has a molecular weight of 578.72 g/mol, XLogP of 7.35, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene is sourced from PubChem (CID 159475149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).