ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene

C37H62N6OS — CID 157452308

IUPACethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene
SMILESCC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.6C2H6/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;6*1-2/h1-5H;2*1-4H;1-5H;2*1-4H;6*1-2H3
InChIKeyBSYCILAQSDVDSQ-UHFFFAOYSA-N
MW639.01 g/mol
LogP12.23
Rot. Bonds

About ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene

ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene (PubChem CID 157452308) has the molecular formula C37H62N6OS and a molecular weight of 639.01 g/mol. Its IUPAC name is ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene.

Molecular Properties

Compound Nameethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene
PubChem CID157452308
Molecular FormulaC37H62N6OS
Molecular Weight639.01 g/mol
Exact Mass638.47
IUPAC Nameethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene
SMILESCC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.6C2H6/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;6*1-2/h1-5H;2*1-4H;1-5H;2*1-4H;6*1-2H3
InChIKeyBSYCILAQSDVDSQ-UHFFFAOYSA-N
XLogP12.23
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.01
LogP ≤ 512.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
ethane;furan;pyridine;1H-pyrrole;thiophene
CID 157248269
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
2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157417542
octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene
CID 157493225
Benzene;ethane;furan;hexakis(2-methylpropane);pyrazine;pyridine;pyrimidine;thiophene
CID 157689464
azepane;furan;1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 157938964
furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 158016625
benzene;furan;bis(1H-imidazole);1-oxidopyridin-1-ium;pyridine;1H-pyrrole;1,3-thiazole;thiophene
CID 158117211

Frequently Asked Questions

What is the IUPAC name of ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene?
The IUPAC name of ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene (CID 157452308) is ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene.
What is the SMILES notation for ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene?
The canonical SMILES for ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene is CC.CC.CC.CC.CC.CC.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.
What is the InChIKey of ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene?
The InChIKey is BSYCILAQSDVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.6C2H6/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;6*1-2/h1-5H;2*1-4H;1-5H;2*1-4H;6*1-2H3.
What are the key properties of ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene?
ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene has a molecular weight of 639.01 g/mol, XLogP of 12.23, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene is sourced from PubChem (CID 157452308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).