ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene

C48H101N9O2S3 — CID 158877573

IUPACethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cocn1.c1cscn1.c1csnn1
InChIInChI=1S/C4H4N2.C4H4S.C3H4N2.2C3H3NO.C3H3NS.C2H2N2S.13C2H6/c1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1;13*1-2/h1-4H;1-4H;1-3H,(H,4,5);3*1-3H;1-2H;13*1-2H3
InChIKeyJCPYIYIXYULHRE-UHFFFAOYSA-N
MW932.60 g/mol
LogP19.01
Rot. Bonds

About ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene

ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene (PubChem CID 158877573) has the molecular formula C48H101N9O2S3 and a molecular weight of 932.60 g/mol. Its IUPAC name is ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Nameethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene
PubChem CID158877573
Molecular FormulaC48H101N9O2S3
Molecular Weight932.60 g/mol
Exact Mass931.72
IUPAC Nameethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cocn1.c1cscn1.c1csnn1
InChIInChI=1S/C4H4N2.C4H4S.C3H4N2.2C3H3NO.C3H3NS.C2H2N2S.13C2H6/c1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1;13*1-2/h1-4H;1-4H;1-3H,(H,4,5);3*1-3H;1-2H;13*1-2H3
InChIKeyJCPYIYIXYULHRE-UHFFFAOYSA-N
XLogP19.01
TPSA145.19 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.60
LogP ≤ 519.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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Related Compounds

ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene
CID 157762623
1,2,4-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 163855582
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 174801541

Frequently Asked Questions

What is the IUPAC name of ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene?
The IUPAC name of ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene (CID 158877573) is ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene.
What is the SMILES notation for ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene?
The canonical SMILES for ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cocn1.c1cscn1.c1csnn1.
What is the InChIKey of ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene?
The InChIKey is JCPYIYIXYULHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C4H4S.C3H4N2.2C3H3NO.C3H3NS.C2H2N2S.13C2H6/c1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-5-4-3-1;13*1-2/h1-4H;1-4H;1-3H,(H,4,5);3*1-3H;1-2H;13*1-2H3.
What are the key properties of ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene?
ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene has a molecular weight of 932.60 g/mol, XLogP of 19.01, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158877573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).