1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene

C17H19N5OS2 — CID 174908550

IUPAC1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4S.C3H4N2.C3H3NO.C3H3NS/c2*1-2-4-5-3-1;3*1-2-5-3-4-1/h1-5H;1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyVXOFKUOAZQRARP-UHFFFAOYSA-N
MW373.51 g/mol
LogP4.99
Rot. Bonds

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

1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene (PubChem CID 174908550) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene
PubChem CID174908550
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC Name1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4S.C3H4N2.C3H3NO.C3H3NS/c2*1-2-4-5-3-1;3*1-2-5-3-4-1/h1-5H;1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyVXOFKUOAZQRARP-UHFFFAOYSA-N
XLogP4.99
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene?
The IUPAC name of 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene (CID 174908550) is 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene?
The canonical SMILES for 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene is c1c[nH]cn1.c1cc[nH]c1.c1ccsc1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene?
The InChIKey is VXOFKUOAZQRARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4S.C3H4N2.C3H3NO.C3H3NS/c2*1-2-4-5-3-1;3*1-2-5-3-4-1/h1-5H;1-4H;1-3H,(H,4,5);2*1-3H.
What are the key properties of 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene?
1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene has a molecular weight of 373.51 g/mol, XLogP of 4.99, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole;thiophene is sourced from PubChem (CID 174908550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).