furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene

C28H29N7OS2 — CID 158016625

IUPACfuran;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
SMILESc1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cscn1
InChIInChI=1S/C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;1-5H;2*1-4H;1-3H
InChIKeyFFNXCCSLJFVNHF-UHFFFAOYSA-N
MW543.72 g/mol
LogP7.22
Rot. Bonds

About furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene

furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene (PubChem CID 158016625) has the molecular formula C28H29N7OS2 and a molecular weight of 543.72 g/mol. Its IUPAC name is furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namefuran;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
PubChem CID158016625
Molecular FormulaC28H29N7OS2
Molecular Weight543.72 g/mol
Exact Mass543.19
IUPAC Namefuran;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
SMILESc1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cscn1
InChIInChI=1S/C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;1-5H;2*1-4H;1-3H
InChIKeyFFNXCCSLJFVNHF-UHFFFAOYSA-N
XLogP7.22
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.72
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(furan-2-yl)-5-pyridin-2-yl-1-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-3-yl]-1,3-thiazole
CID 140989766
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
CID 141114805
1-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiadiazole
CID 141114814
1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 141269245
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 141327986
furan;tridecakis(2-methylpropane);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(3H-pyrrole);1,3-thiazole;thiophene
CID 157055612
benzene;furan;1H-imidazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene;1,3,5-triazine
CID 157132512
3-methylfuran;2-methylpyrazine;bis(3-methylpyridine);2-methylpyrimidine;1-methylpyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157330566
Furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 157391026
benzene;furan;1H-imidazole;1-oxidopyridin-1-ium;pyridine;1H-pyrrole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157408024
furan;1H-indole;pyridine;1,3-thiazole;thiophene;1,3,5-triazine
CID 157423433
ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene
CID 157452308

Frequently Asked Questions

What is the IUPAC name of furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene?
The IUPAC name of furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene (CID 158016625) is furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene.
What is the SMILES notation for furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene?
The canonical SMILES for furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene is c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cscn1.
What is the InChIKey of furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene?
The InChIKey is FFNXCCSLJFVNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;2*1-4H;1-5H;2*1-4H;1-3H.
What are the key properties of furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene?
furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene has a molecular weight of 543.72 g/mol, XLogP of 7.22, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene is sourced from PubChem (CID 158016625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).